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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfo-phenyl)amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-(2,4,6-trimethyl-3-sulfo-anilino)anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-(2,4,6-trimethyl-3-sulfoanilino)-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-(2,4,6-trimethyl-3-sulfoanilino)anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(2,4,6-trimethyl-3-sulfo-anilino)anthracene-2-sulfonic acid Formula: C23H20N2O8S2 MolecularWeight: 516.5435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)S(=O)(=O)O)C

InChI

InChI=1S/C23H20N2O8S2/c1-10-8-11(2)23(35(31,32)33)12(3)20(10)25-15-9-16(34(28,29)30)19(24)18-17(15)21(26)13-6-4-5-7-14(13)22(18)27/h4-9,25H,24H2,1-3H3,(H,28,29,30)(H,31,32,33)