1-azanyl-4-[(3-azanyl-4-methyl-5-sulfo-phenyl)sulfonyl-phenyl-amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(3-azanyl-4-methyl-5-sulfo-phenyl)sulfonyl-phenyl-amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(N-(3-amino-4-methyl-5-sulfo-phenyl)sulfonylanilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(N-(3-amino-4-methyl-5-sulfophenyl)sulfonylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(N-(3-amino-4-methyl-5-sulfophenyl)sulfonylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(N-(3-amino-4-methyl-5-sulfo-phenyl)sulfonylanilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C27H21N3O10S3 MolecularWeight: 643.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)N(C2=CC=CC=C2)C3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)N(C2=CC=CC=C2)C3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H21N3O10S3/c1-14-19(28)11-16(12-21(14)42(35,36)37)41(33,34)30(15-7-3-2-4-8-15)20-13-22(43(38,39)40)25(29)24-23(20)26(31)17-9-5-6-10-18(17)27(24)32/h2-13H,28-29H2,1H3,(H,35,36,37)(H,38,39,40)