2-[5-methyl-1-[(Z)-10-(6-oxidanylideneheptylsulfanyl)dec-9-enyl]-2-propan-2-yl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[5-methyl-1-[(Z)-10-(6-oxidanylideneheptylsulfanyl)dec-9-enyl]-2-propan-2-yl-cyclohexyl]ethanoic acid Openeye Name: 2-[2-isopropyl-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]cyclohexyl]acetic acid CAS Name: 2-[5-methyl-1-[(Z)-10-(6-oxoheptylthio)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetic acid IUPAC Name: 2-[5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetic acid Traditional Name: 2-[2-isopropyl-1-[(Z)-10-(6-ketoheptylthio)dec-9-enyl]-5-methyl-cyclohexyl]acetic acid Formula: C29H52O3S MolecularWeight: 480.78638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(CCCCCCCCC=CSCCCCCC(=O)C)CC(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)(CCCCCCCC/C=C\SCCCCCC(=O)C)CC(=O)O)C(C)C

InChI

InChI=1S/C29H52O3S/c1-24(2)27-18-17-25(3)22-29(27,23-28(31)32)19-13-9-7-5-6-8-10-14-20-33-21-15-11-12-16-26(4)30/h14,20,24-25,27H,5-13,15-19,21-23H2,1-4H3,(H,31,32)/b20-14-