4,4′-[Methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid]

Details

Stereochemistry	ACHIRAL
Molecular Formula	C41H28N4O10S2
Molecular Weight	800.812
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4′-[Methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid]

Structure Search

SMILES

NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(NC4=CC=C(CC5=CC=C(NC6=C7C(=O)C8=C(C=CC=C8)C(=O)C7=C(N)C(=C6)S(O)(=O)=O)C=C5)C=C4)C=C1S(O)(=O)=O

InChI

InChIKey=FXFJDZPYMDXPPM-UHFFFAOYSA-N

InChI=1S/C41H28N4O10S2/c42-36-30(56(50,51)52)18-28(32-34(36)40(48)26-7-3-1-5-24(26)38(32)46)44-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)45-29-19-31(57(53,54)55)37(43)35-33(29)39(47)25-6-2-4-8-27(25)41(35)49/h1-16,18-19,44-45H,17,42-43H2,(H,50,51,52)(H,53,54,55)

HIDE SMILES / InChI

Molecular Formula	C41H28N4O10S2
Molecular Weight	800.812
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 12:12:44 GMT 2023` Edited by `admin` on `Sat Dec 16 12:12:44 GMT 2023`
Record UNII	67HMQ9J5JM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4′-[Methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid]

Systematic Name

English

2-Anthracenesulfonic acid, 4,4′-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-

Systematic Name

English

2-Anthraquinonesulfonic acid, 4,4′-[methylenebis(p-phenyleneimino)]bis[1-amino-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

250-583-2