[3-(3-cyanopropoxy)-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-(3-cyanopropoxy)-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(3-cyanopropoxy)-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-(3-cyanopropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-cyanopropoxy)-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(3-cyanopropoxy)-5-methyl-phenyl] ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCC#N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCC#N

InChI

InChI=1S/C17H16ClNO4S/c1-13-10-14(22-9-5-4-8-19)12-15(11-13)23-24(20,21)17-7-3-2-6-16(17)18/h2-3,6-7,10-12H,4-5,9H2,1H3