[4-(5-methylheptyl)phenyl] 4-decoxycyclohexane-1-carboxylate

Systemtic Name: [4-(5-methylheptyl)phenyl] 4-decoxycyclohexane-1-carboxylate Openeye Name: [4-(5-methylheptyl)phenyl] 4-decoxycyclohexanecarboxylate CAS Name: 4-decoxy-1-cyclohexanecarboxylic acid [4-(5-methylheptyl)phenyl] ester IUPAC Name: [4-(5-methylheptyl)phenyl] 4-decoxycyclohexane-1-carboxylate Traditional Name: 4-decoxycyclohexanecarboxylic acid [4-(5-methylheptyl)phenyl] ester Formula: C31H52O3 MolecularWeight: 472.74278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCCC(C)CC

InChI

InChI=1S/C31H52O3/c1-4-6-7-8-9-10-11-14-25-33-29-23-19-28(20-24-29)31(32)34-30-21-17-27(18-22-30)16-13-12-15-26(3)5-2/h17-18,21-22,26,28-29H,4-16,19-20,23-25H2,1-3H3