5-methyl-2-(3-methylbut-2-enyl)-2-(phenylmethyl)sulfonyl-hex-4-enoic acid

Systemtic Name: 5-methyl-2-(3-methylbut-2-enyl)-2-(phenylmethyl)sulfonyl-hex-4-enoic acid Openeye Name: 2-benzylsulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid CAS Name: 5-methyl-2-(3-methylbut-2-enyl)-2-(phenylmethyl)sulfonyl-4-hexenoic acid IUPAC Name: 2-benzylsulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid Traditional Name: 2-benzylsulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid Formula: C19H26O4S MolecularWeight: 350.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(CC=C(C)C)(C(=O)O)S(=O)(=O)CC1=CC=CC=C1)C

Isomeric SMILES

CC(=CCC(CC=C(C)C)(C(=O)O)S(=O)(=O)CC1=CC=CC=C1)C

InChI

InChI=1S/C19H26O4S/c1-15(2)10-12-19(18(20)21,13-11-16(3)4)24(22,23)14-17-8-6-5-7-9-17/h5-11H,12-14H2,1-4H3,(H,20,21)