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

Systemtic Name: 1-azanyl-4-[[4-(4-azanyl-2-sulfo-phenyl)-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(4-amino-2-sulfo-phenyl)-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(4-amino-2-sulfophenyl)-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-(4-amino-2-sulfophenyl)-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-(4-amino-2-sulfo-phenyl)-3-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C26H19N3O11S3 MolecularWeight: 645.63756

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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)C5=C(C=C(C=C5)N)S(=O)(=O)O)S(=O)(=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)C5=C(C=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C26H19N3O11S3/c27-12-5-7-14(19(9-12)41(32,33)34)15-8-6-13(10-20(15)42(35,36)37)29-18-11-21(43(38,39)40)24(28)23-22(18)25(30)16-3-1-2-4-17(16)26(23)31/h1-11,29H,27-28H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)