5-azanyl-8-[(4-azanyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid

Systemtic Name: 5-azanyl-8-[(4-azanyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid Openeye Name: 5-amino-8-(4-amino-3-sulfo-anilino)-9,10-dioxo-anthracene-1,6-disulfonic acid CAS Name: 5-amino-8-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-1,6-disulfonic acid IUPAC Name: 5-amino-8-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-1,6-disulfonic acid Traditional Name: 5-amino-8-(4-amino-3-sulfo-anilino)-9,10-diketo-anthracene-1,6-disulfonic acid Formula: C20H15N3O11S3 MolecularWeight: 569.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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