R-4066 OXALATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H37NO.C2H2O4
Molecular Weight	541.6772
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(O)=O.CCC(=O)C(CCN1CCC2(CCCC3=C2C=CC=C3)CC1)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=DRZCBAHULALFNW-UHFFFAOYSA-N

InChI=1S/C32H37NO.C2H2O4/c1-2-30(34)32(27-14-5-3-6-15-27,28-16-7-4-8-17-28)22-25-33-23-20-31(21-24-33)19-11-13-26-12-9-10-18-29(26)31;3-1(4)2(5)6/h3-10,12,14-18H,2,11,13,19-25H2,1H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C32H37NO
Molecular Weight	451.6423
Charge	0
Count

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

Molecular Formula	C2H2O4
Molecular Weight	90.0349
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 `Sat Dec 16 15:41:37 GMT 2023` Edited by `admin` on `Sat Dec 16 15:41:37 GMT 2023`
Record UNII	DL9M9L165Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

R-4066 OXALATE

Common Name

English

NSC-665324

Code

English

3-HEXANONE, 6-(3,4-DIHYDROSPIRO(NAPHTHALENE-1(2H),4'-PIPERIDIN)-1'-YL)-4,4-DIPHENYL-, ETHANEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10906347