[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(1,3-dioxoisoindolin-2-yl)benzenesulfonate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-(1,3-dioxoisoindol-2-yl)benzenesulfonate Traditional Name: 4-phthalimidobenzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C27H18N4O5S MolecularWeight: 510.52062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)N5N=C6C=CC=CC6=N5

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)N5N=C6C=CC=CC6=N5

InChI

InChI=1S/C27H18N4O5S/c1-17-10-15-25(24(16-17)31-28-22-8-4-5-9-23(22)29-31)36-37(34,35)19-13-11-18(12-14-19)30-26(32)20-6-2-3-7-21(20)27(30)33/h2-16H,1H3