(2-methylcyclohexyl)methyl 8-(3-octyloxiran-2-yl)-3-oxidanyl-octanoate

Systemtic Name: (2-methylcyclohexyl)methyl 8-(3-octyloxiran-2-yl)-3-oxidanyl-octanoate Openeye Name: (2-methylcyclohexyl)methyl 3-hydroxy-8-(3-octyloxiran-2-yl)octanoate CAS Name: 3-hydroxy-8-(3-octyl-2-oxiranyl)octanoic acid (2-methylcyclohexyl)methyl ester IUPAC Name: (2-methylcyclohexyl)methyl 3-hydroxy-8-(3-octyloxiran-2-yl)octanoate Traditional Name: 3-hydroxy-8-(3-octyloxiran-2-yl)caprylic acid (2-methylcyclohexyl)methyl ester Formula: C26H48O4 MolecularWeight: 424.65692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCC(CC(=O)OCC2CCCCC2C)O

Isomeric SMILES

CCCCCCCCC1C(O1)CCCCCC(CC(=O)OCC2CCCCC2C)O

InChI

InChI=1S/C26H48O4/c1-3-4-5-6-7-10-17-24-25(30-24)18-11-8-9-16-23(27)19-26(28)29-20-22-15-13-12-14-21(22)2/h21-25,27H,3-20H2,1-2H3