tert-butyl 2-[3-(2-methylpropoxy)-1-oxidanyl-6-[(3Z)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-(2-methylpropoxy)-1-oxidanyl-6-[(3Z)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-yl]ethanoate Openeye Name: tert-butyl 2-[1-hydroxy-3-isobutoxy-6-[(3Z)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-yl]acetate CAS Name: 2-[1-hydroxy-3-(2-methylpropoxy)-6-[(3Z)-4-(phenylthio)hexa-3,5-dienyl]-1-cyclohex-2-enyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-hydroxy-3-(2-methylpropoxy)-6-[(3Z)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-yl]acetate Traditional Name: 2-[1-hydroxy-3-isobutoxy-6-[(3Z)-4-(phenylthio)hexa-3,5-dienyl]cyclohex-2-en-1-yl]acetic acid tert-butyl ester Formula: C28H40O4S MolecularWeight: 472.6798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(C(CC1)CCC=C(C=C)SC2=CC=CC=C2)(CC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)COC1=CC(C(CC1)CC/C=C(/C=C)\SC2=CC=CC=C2)(CC(=O)OC(C)(C)C)O

InChI

InChI=1S/C28H40O4S/c1-7-24(33-25-13-9-8-10-14-25)15-11-12-22-16-17-23(31-20-21(2)3)18-28(22,30)19-26(29)32-27(4,5)6/h7-10,13-15,18,21-22,30H,1,11-12,16-17,19-20H2,2-6H3/b24-15-