2-methyl-6-(3-methylphenyl)-3-non-1-en-3-yl-benzenesulfinate

Systemtic Name: 2-methyl-6-(3-methylphenyl)-3-non-1-en-3-yl-benzenesulfinate Openeye Name: 2-methyl-6-(m-tolyl)-3-(1-vinylheptyl)benzenesulfinate CAS Name: 2-methyl-6-(3-methylphenyl)-3-non-1-en-3-ylbenzenesulfinate IUPAC Name: 2-methyl-6-(3-methylphenyl)-3-non-1-en-3-ylbenzenesulfinate Traditional Name: 3-(1-hexylallyl)-2-methyl-6-(m-tolyl)benzenesulfinate Formula: C23H29O2S- MolecularWeight: 369.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=C)C1=C(C(=C(C=C1)C2=CC(=CC=C2)C)S(=O)[O-])C

Isomeric SMILES

CCCCCCC(C=C)C1=C(C(=C(C=C1)C2=CC(=CC=C2)C)S(=O)[O-])C

InChI

InChI=1S/C23H30O2S/c1-5-7-8-9-12-19(6-2)21-14-15-22(23(18(21)4)26(24)25)20-13-10-11-17(3)16-20/h6,10-11,13-16,19H,2,5,7-9,12H2,1,3-4H3,(H,24,25)/p-1