8-azanyl-9,10-bis(oxidanylidene)-5-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-1,7-disulfonic acid

Systemtic Name: 8-azanyl-9,10-bis(oxidanylidene)-5-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-1,7-disulfonic acid Openeye Name: 8-amino-9,10-dioxo-5-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-1,7-disulfonic acid CAS Name: 8-amino-9,10-dioxo-5-[(2-sulfo-1-cyclohexa-2,4-dienyl)amino]anthracene-1,7-disulfonic acid IUPAC Name: 8-amino-9,10-dioxo-5-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-1,7-disulfonic acid Traditional Name: 8-amino-9,10-diketo-5-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-1,7-disulfonic acid Formula: C20H16N2O11S3 MolecularWeight: 556.54284

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=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

Isomeric SMILES

C1C=CC=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

InChI

InChI=1S/C20H16N2O11S3/c21-18-14(36(31,32)33)8-11(22-10-5-1-2-6-12(10)34(25,26)27)16-17(18)20(24)15-9(19(16)23)4-3-7-13(15)35(28,29)30/h1-4,6-8,10,22H,5,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)