[4-[(1-chloranyl-2,3-dihydro-1H-inden-2-yl)sulfonyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(1-chloranyl-2,3-dihydro-1H-inden-2-yl)sulfonyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(1-chloroindan-2-yl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(1-chloro-2,3-dihydro-1H-inden-2-yl)sulfonyl]phenyl] ester IUPAC Name: [4-[(1-chloro-2,3-dihydro-1H-inden-2-yl)sulfonyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1-chloroindan-2-yl)sulfonylphenyl] ester Formula: C22H19ClO5S2 MolecularWeight: 462.96626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3CC4=CC=CC=C4C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3CC4=CC=CC=C4C3Cl

InChI

InChI=1S/C22H19ClO5S2/c1-15-6-10-19(11-7-15)30(26,27)28-17-8-12-18(13-9-17)29(24,25)21-14-16-4-2-3-5-20(16)22(21)23/h2-13,21-22H,14H2,1H3