5-methyl-2-propan-2-yl-cyclohexan-1-ol; (E)-12-oxidanyloctadec-9-enoic acid

Systemtic Name: 5-methyl-2-propan-2-yl-cyclohexan-1-ol; (E)-12-oxidanyloctadec-9-enoic acid Openeye Name: (E)-12-hydroxyoctadec-9-enoic acid; 2-isopropyl-5-methyl-cyclohexanol CAS Name: (E)-12-hydroxy-9-octadecenoic acid; 5-methyl-2-propan-2-yl-1-cyclohexanol IUPAC Name: (E)-12-hydroxyoctadec-9-enoic acid; 5-methyl-2-propan-2-ylcyclohexan-1-ol Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid; 2-isopropyl-5-methyl-cyclohexanol Formula: C28H54O4 MolecularWeight: 454.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.CC1CCC(C(C1)O)C(C)C

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)O)O.CC1CCC(C(C1)O)C(C)C

InChI

InChI=1S/C18H34O3.C10H20O/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-7(2)9-5-4-8(3)6-10(9)11/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);7-11H,4-6H2,1-3H3/b12-9+;