1-azanyl-4-[(4-azanyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-4-[(4-azanyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 1-amino-4-(4-amino-3-sulfo-anilino)-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 1-amino-4-(4-amino-3-sulfo-anilino)-9,10-diketo-anthracene-2,6-disulfonic acid Formula: C20H15N3O11S3 MolecularWeight: 569.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C20H15N3O11S3/c21-12-4-1-8(5-14(12)36(29,30)31)23-13-7-15(37(32,33)34)18(22)17-16(13)20(25)11-6-9(35(26,27)28)2-3-10(11)19(17)24/h1-7,23H,21-22H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)