4-[(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)amino]-1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4-[(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)amino]-1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-1-hydroxy-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-1-hydroxy-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-1-hydroxy-9,10-diketo-anthracene-2-sulfonic acid Formula: C23H20N2O9S2 MolecularWeight: 532.5429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O9S2/c1-9-18(24)10(2)23(36(32,33)34)11(3)19(9)25-14-8-15(35(29,30)31)22(28)17-16(14)20(26)12-6-4-5-7-13(12)21(17)27/h4-8,25,28H,24H2,1-3H3,(H,29,30,31)(H,32,33,34)