[9,10-bis(oxidanylidene)-4-phenylazanyl-anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [9,10-bis(oxidanylidene)-4-phenylazanyl-anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: (4-anilino-9,10-dioxo-1-anthryl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-anilino-9,10-dioxo-1-anthracenyl) ester IUPAC Name: (4-anilino-9,10-dioxoanthracen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-anilino-9,10-diketo-1-anthryl) ester Formula: C27H19NO5S MolecularWeight: 469.50846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C27H19NO5S/c1-17-11-13-19(14-12-17)34(31,32)33-23-16-15-22(28-18-7-3-2-4-8-18)24-25(23)27(30)21-10-6-5-9-20(21)26(24)29/h2-16,28H,1H3