(3-methyl-1-pentyl-4-phenoxycarbonyloxy-cyclohexyl) 4-pentylcyclohexane-1-carboxylate

Systemtic Name: (3-methyl-1-pentyl-4-phenoxycarbonyloxy-cyclohexyl) 4-pentylcyclohexane-1-carboxylate Openeye Name: (3-methyl-1-pentyl-4-phenoxycarbonyloxy-cyclohexyl) 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [3-methyl-4-[oxo(phenoxy)methoxy]-1-pentylcyclohexyl] ester IUPAC Name: (3-methyl-1-pentyl-4-phenoxycarbonyloxycyclohexyl) 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid (1-amyl-4-carbophenoxyoxy-3-methyl-cyclohexyl) ester Formula: C31H48O5 MolecularWeight: 500.70982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2(CCC(C(C2)C)OC(=O)OC3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2(CCC(C(C2)C)OC(=O)OC3=CC=CC=C3)CCCCC

InChI

InChI=1S/C31H48O5/c1-4-6-9-13-25-16-18-26(19-17-25)29(32)36-31(21-12-7-5-2)22-20-28(24(3)23-31)35-30(33)34-27-14-10-8-11-15-27/h8,10-11,14-15,24-26,28H,4-7,9,12-13,16-23H2,1-3H3