[3-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(3-chloro-1,4-dioxo-2-naphthyl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]phenyl] ester IUPAC Name: [3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(3-chloro-1,4-diketo-2-naphthyl)amino]phenyl] ester Formula: C23H16ClNO5S MolecularWeight: 453.89484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C23H16ClNO5S/c1-14-9-11-17(12-10-14)31(28,29)30-16-6-4-5-15(13-16)25-21-20(24)22(26)18-7-2-3-8-19(18)23(21)27/h2-13,25H,1H3