2-[4-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]phenyl]acetic acid CAS Name: 2-[4-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]phenyl]acetic acid Formula: C22H16N2O7S MolecularWeight: 452.43664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)CC(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)CC(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C22H16N2O7S/c23-20-16(32(29,30)31)10-15(24-12-7-5-11(6-8-12)9-17(25)26)18-19(20)22(28)14-4-2-1-3-13(14)21(18)27/h1-8,10,24H,9,23H2,(H,25,26)(H,29,30,31)