phenyl 1-azanyl-4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: phenyl 1-azanyl-4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: phenyl 1-amino-9,10-dioxo-4-(p-tolylsulfonylamino)anthracene-2-sulfonate CAS Name: 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxo-2-anthracenesulfonic acid phenyl ester IUPAC Name: phenyl 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: 1-amino-9,10-diketo-4-(tosylamino)anthracene-2-sulfonic acid phenyl ester Formula: C27H20N2O7S2 MolecularWeight: 548.5869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H20N2O7S2/c1-16-11-13-18(14-12-16)37(32,33)29-21-15-22(38(34,35)36-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3