4-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxybutan-2-yl pentanoate

Systemtic Name: 4-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxybutan-2-yl pentanoate Openeye Name: [1-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] pentanoate CAS Name: pentanoic acid 4-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]butan-2-yl ester IUPAC Name: 4-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxybutan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCCC(C)OC(=O)CCCC

InChI

InChI=1S/C29H44O4/c1-4-6-8-9-10-14-23-31-29(32-24-20-25(3)33-28(30)17-7-5-2)21-18-27(19-22-29)26-15-12-11-13-16-26/h11-13,15-16,18-19,21-22,25,27H,4-10,14,17,20,23-24H2,1-3H3