1-azanyl-9,10-bis(oxidanylidene)-4-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,6-disulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,6-disulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[(2-sulfo-1-cyclohexa-2,4-dienyl)amino]anthracene-2,6-disulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,6-disulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[(2-sulfocyclohexa-2,4-dien-1-yl)amino]anthracene-2,6-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/c21-18-15(36(31,32)33)8-13(22-12-3-1-2-4-14(12)35(28,29)30)16-17(18)19(23)10-6-5-9(34(25,26)27)7-11(10)20(16)24/h1-2,4-8,12,22H,3,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)