DOCOSYLOXYMETHOXYBENZYL AZAFULLERENEDIONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C90H53NO4
Molecular Weight	1212.3881
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOCOSYLOXYMETHOXYBENZYL AZAFULLERENEDIONE

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCCCCCOC1=CC=C(CN2C(=O)C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C(C(=O)C%18=C%17C%19=C%15C%20=C%21C%14=C%11C%22=C%23C%10=C7C%24=C%23C%25=C%26C%27=C(C%25=C%21%22)C%20=C%19C%28=C%18C%29=C2C4=C%30C(=C%26C%24=C6%30)C%29=C%27%28)C%31=C3C(C(=C9%12)C%31=C%13%16)=C58)C=C1OC

InChI

InChIKey=AQKPPGWPERFFEN-UHFFFAOYSA-N

InChI=1S/C90H53NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-95-29-24-23-28(26-30(29)94-2)27-91-88-83-75-67-56-47-39-37-31-32-34-36-35-33(31)40-41(37)49-53(47)64-69-59(49)58-48(40)51-44(35)52-45(36)54-50-43(34)46-38(32)42(39)55(56)60-57(46)66-61(50)73-65(54)71-63(52)70-62(51)68(58)77-78(69)86(81(83)72(64)67)89(92)85(77)79(70)80(71)87(90(91)93)82(73)84(88)76(66)74(60)75/h23-24,26H,3-22,25,27H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C90H53NO4
Molecular Weight	1212.3881
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:26:58 GMT 2025` Edited by `admin` on `Mon Mar 31 19:26:58 GMT 2025`
Record UNII	ML1L47JX7R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOCOSYLOXYMETHOXYBENZYL AZAFULLERENEDIONE

Official Name

English

HG2-V2

Preferred Name

English

2A-AZA-1,2(2A)-HOMO-1,9-SECO(5,6)FULLERENE-C60-IH-1,9-DIONE, 2A-((4-(DOCOSYLOXY)-3-METHOXYPHENYL)METHYL)-

Common Name

English

Code System Code Type Description

FDA UNII

ML1L47JX7R

Created by admin on Mon Mar 31 19:26:58 GMT 2025 , Edited by admin on Mon Mar 31 19:26:58 GMT 2025

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EPA CompTox

DTXSID80241459

Created by admin on Mon Mar 31 19:26:58 GMT 2025 , Edited by admin on Mon Mar 31 19:26:58 GMT 2025

PRIMARY

CAS

943912-75-2

Created by admin on Mon Mar 31 19:26:58 GMT 2025 , Edited by admin on Mon Mar 31 19:26:58 GMT 2025

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PUBCHEM

71587882

Created by admin on Mon Mar 31 19:26:58 GMT 2025 , Edited by admin on Mon Mar 31 19:26:58 GMT 2025

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