3-[(3E,7E)-4,8-dimethyl-12-(oxan-2-yloxy)dodeca-3,7-dienyl]-3-phenylsulfanyl-oxolan-2-one

Systemtic Name: 3-[(3E,7E)-4,8-dimethyl-12-(oxan-2-yloxy)dodeca-3,7-dienyl]-3-phenylsulfanyl-oxolan-2-one Openeye Name: 3-[(3E,7E)-4,8-dimethyl-12-tetrahydropyran-2-yloxy-dodeca-3,7-dienyl]-3-phenylsulfanyl-tetrahydrofuran-2-one CAS Name: 3-[(3E,7E)-4,8-dimethyl-12-(2-oxanyloxy)dodeca-3,7-dienyl]-3-(phenylthio)-2-oxolanone IUPAC Name: 3-[(3E,7E)-4,8-dimethyl-12-(oxan-2-yloxy)dodeca-3,7-dienyl]-3-phenylsulfanyloxolan-2-one Traditional Name: 3-[(3E,7E)-4,8-dimethyl-12-tetrahydropyran-2-yloxy-dodeca-3,7-dienyl]-3-(phenylthio)tetrahydrofuran-2-one Formula: C29H42O4S MolecularWeight: 486.70638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC1(CCOC1=O)SC2=CC=CC=C2)C)CCCCOC3CCCCO3

Isomeric SMILES

C/C(=C\CC/C(=C/CCC1(CCOC1=O)SC2=CC=CC=C2)/C)/CCCCOC3CCCCO3

InChI

InChI=1S/C29H42O4S/c1-24(12-6-8-21-31-27-18-7-9-22-32-27)13-10-14-25(2)15-11-19-29(20-23-33-28(29)30)34-26-16-4-3-5-17-26/h3-5,13,15-17,27H,6-12,14,18-23H2,1-2H3/b24-13+,25-15+