hexatriacontyl 2-chloranyl-3-methyl-benzenesulfonate

Systemtic Name: hexatriacontyl 2-chloranyl-3-methyl-benzenesulfonate Openeye Name: hexatriacontyl 2-chloro-3-methyl-benzenesulfonate CAS Name: 2-chloro-3-methylbenzenesulfonic acid hexatriacontyl ester IUPAC Name: hexatriacontyl 2-chloro-3-methylbenzenesulfonate Traditional Name: 2-chloro-3-methyl-benzenesulfonic acid hexatriacontyl ester Formula: C43H79ClO3S MolecularWeight: 711.60356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC(=C1Cl)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC(=C1Cl)C

InChI

InChI=1S/C43H79ClO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-40-47-48(45,46)42-39-37-38-41(2)43(42)44/h37-39H,3-36,40H2,1-2H3