tert-butyl (Z)-3-methyl-4-phenylsulfanyl-hept-2-enoate

Systemtic Name: tert-butyl (Z)-3-methyl-4-phenylsulfanyl-hept-2-enoate Openeye Name: tert-butyl (Z)-3-methyl-4-phenylsulfanyl-hept-2-enoate CAS Name: (Z)-3-methyl-4-(phenylthio)-2-heptenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-3-methyl-4-phenylsulfanylhept-2-enoate Traditional Name: (Z)-3-methyl-4-(phenylthio)hept-2-enoic acid tert-butyl ester Formula: C18H26O2S MolecularWeight: 306.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=CC(=O)OC(C)(C)C)C)SC1=CC=CC=C1

Isomeric SMILES

CCCC(/C(=C\C(=O)OC(C)(C)C)/C)SC1=CC=CC=C1

InChI

InChI=1S/C18H26O2S/c1-6-10-16(21-15-11-8-7-9-12-15)14(2)13-17(19)20-18(3,4)5/h7-9,11-13,16H,6,10H2,1-5H3/b14-13-