tert-butyl (Z)-8-chloranyl-7-(hydroxymethyl)-8-(4-methylphenyl)sulfanyl-oct-7-enoate

Systemtic Name: tert-butyl (Z)-8-chloranyl-7-(hydroxymethyl)-8-(4-methylphenyl)sulfanyl-oct-7-enoate Openeye Name: tert-butyl (Z)-8-chloro-7-(hydroxymethyl)-8-(p-tolylsulfanyl)oct-7-enoate CAS Name: (Z)-8-chloro-7-(hydroxymethyl)-8-[(4-methylphenyl)thio]-7-octenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-8-chloro-7-(hydroxymethyl)-8-(4-methylphenyl)sulfanyloct-7-enoate Traditional Name: (Z)-8-chloro-7-methylol-8-(p-tolylthio)oct-7-enoic acid tert-butyl ester Formula: C20H29ClO3S MolecularWeight: 384.96046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=C(CCCCCC(=O)OC(C)(C)C)CO)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C(\CCCCCC(=O)OC(C)(C)C)/CO)/Cl

InChI

InChI=1S/C20H29ClO3S/c1-15-10-12-17(13-11-15)25-19(21)16(14-22)8-6-5-7-9-18(23)24-20(2,3)4/h10-13,22H,5-9,14H2,1-4H3/b19-16+