10-[3-heptyl-2-(10-oxidanyl-10-oxidanylidene-decyl)-4-pentyl-cyclohexyl]decanoic acid

Systemtic Name: 10-[3-heptyl-2-(10-oxidanyl-10-oxidanylidene-decyl)-4-pentyl-cyclohexyl]decanoic acid Openeye Name: 10-[3-heptyl-2-(10-hydroxy-10-oxo-decyl)-4-pentyl-cyclohexyl]decanoic acid CAS Name: 10-[3-heptyl-2-(10-hydroxy-10-oxodecyl)-4-pentylcyclohexyl]decanoic acid IUPAC Name: 10-[3-heptyl-2-(10-hydroxy-10-oxodecyl)-4-pentylcyclohexyl]decanoic acid Traditional Name: 10-[4-amyl-3-heptyl-2-(10-hydroxy-10-keto-decyl)cyclohexyl]capric acid Formula: C38H72O4 MolecularWeight: 592.97588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(CCC(C1CCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O)CCCCC

Isomeric SMILES

CCCCCCCC1C(CCC(C1CCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O)CCCCC

InChI

InChI=1S/C38H72O4/c1-3-5-7-14-21-27-35-33(25-19-6-4-2)31-32-34(26-20-15-10-8-12-17-23-29-37(39)40)36(35)28-22-16-11-9-13-18-24-30-38(41)42/h33-36H,3-32H2,1-2H3,(H,39,40)(H,41,42)