6-(16-methylheptadecoxycarbonyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(16-methylheptadecoxycarbonyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(16-methylheptadecoxycarbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[16-methylheptadecoxy(oxo)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(16-methylheptadecoxycarbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(16-methylheptadecoxycarbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C26H46O4 MolecularWeight: 422.64104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)O

InChI

InChI=1S/C26H46O4/c1-22(2)18-14-12-10-8-6-4-3-5-7-9-11-13-17-21-30-26(29)24-20-16-15-19-23(24)25(27)28/h15-16,22-24H,3-14,17-21H2,1-2H3,(H,27,28)