[4-phenyl-6-(phenylsulfanylmethyl)hept-6-en-2-yl] methanesulfonate

Systemtic Name: [4-phenyl-6-(phenylsulfanylmethyl)hept-6-en-2-yl] methanesulfonate Openeye Name: [1-methyl-3-phenyl-5-(phenylsulfanylmethyl)hex-5-enyl] methanesulfonate CAS Name: methanesulfonic acid [4-phenyl-6-[(phenylthio)methyl]hept-6-en-2-yl] ester IUPAC Name: [4-phenyl-6-(phenylsulfanylmethyl)hept-6-en-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-methyl-3-phenyl-5-[(phenylthio)methyl]hex-5-enyl] ester Formula: C21H26O3S2 MolecularWeight: 390.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(=C)CSC1=CC=CC=C1)C2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CC(CC(CC(=C)CSC1=CC=CC=C1)C2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H26O3S2/c1-17(16-25-21-12-8-5-9-13-21)14-20(19-10-6-4-7-11-19)15-18(2)24-26(3,22)23/h4-13,18,20H,1,14-16H2,2-3H3