1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate

Systemtic Name: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate Openeye Name: [1-methyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] nonanoate CAS Name: nonanoic acid 1-[(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate Traditional Name: pelargonic acid [2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C29H44O3 MolecularWeight: 440.65786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)CCCCC

InChI

InChI=1S/C29H44O3/c1-4-6-8-9-10-14-18-28(30)32-25(3)24-31-29(21-15-7-5-2)22-19-27(20-23-29)26-16-12-11-13-17-26/h11-13,16-17,19-20,22-23,25,27H,4-10,14-15,18,21,24H2,1-3H3