1-azanyl-4-(3-azanyl-4-sulfo-phenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 1-azanyl-4-(3-azanyl-4-sulfo-phenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 1-amino-4-(3-amino-4-sulfo-phenyl)sulfanyl-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 1-amino-4-[(3-amino-4-sulfophenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-(3-amino-4-sulfophenyl)sulfanyl-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 1-amino-4-[(3-amino-4-sulfo-phenyl)thio]-9,10-diketo-anthracene-2-carboxylic acid Formula: C21H14N2O7S2 MolecularWeight: 470.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)C(=O)O)SC4=CC(=C(C=C4)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)C(=O)O)SC4=CC(=C(C=C4)S(=O)(=O)O)N

InChI

InChI=1S/C21H14N2O7S2/c22-13-7-9(5-6-15(13)32(28,29)30)31-14-8-12(21(26)27)18(23)17-16(14)19(24)10-3-1-2-4-11(10)20(17)25/h1-8H,22-23H2,(H,26,27)(H,28,29,30)