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

Systemtic Name: 4-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxybutan-2-yl heptanoate Openeye Name: [1-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] heptanoate CAS Name: heptanoic 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 heptanoate Traditional Name: enanthic acid [1-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] ester Formula: C31H48O4 MolecularWeight: 484.71042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48O4/c1-4-6-8-10-11-16-25-33-31(23-20-29(21-24-31)28-17-13-12-14-18-28)34-26-22-27(3)35-30(32)19-15-9-7-5-2/h12-14,17-18,20-21,23-24,27,29H,4-11,15-16,19,22,25-26H2,1-3H3