1-azanyl-9,10-bis(oxidanylidene)-4-[(3-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,7-disulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(3-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,7-disulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[(3-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,7-disulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[(3-sulfo-1-cyclohexa-2,4-dienyl)amino]anthracene-2,7-disulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[(3-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,7-disulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[(3-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,7-disulfonic acid Formula: C20H16N2O11S3 MolecularWeight: 556.54284

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C=CC(=CC1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

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