[4-(4-propoxyphenyl)phenyl] 4,4-bis(1-hexoxyethyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: [4-(4-propoxyphenyl)phenyl] 4,4-bis(1-hexoxyethyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: [4-(4-propoxyphenyl)phenyl] 4,4-bis(1-hexoxyethyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4,4-bis(1-hexoxyethyl)-1-cyclohexa-2,5-dienecarboxylic acid [4-(4-propoxyphenyl)phenyl] ester IUPAC Name: [4-(4-propoxyphenyl)phenyl] 4,4-bis(1-hexoxyethyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4,4-bis(1-hexoxyethyl)cyclohexa-2,5-diene-1-carboxylic acid [4-(4-propoxyphenyl)phenyl] ester Formula: C38H54O5 MolecularWeight: 590.83236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C1(C=CC(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C(C)OCCCCCC

Isomeric SMILES

CCCCCCOC(C)C1(C=CC(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C(C)OCCCCCC

InChI

InChI=1S/C38H54O5/c1-6-9-11-13-28-40-30(4)38(31(5)41-29-14-12-10-7-2)25-23-34(24-26-38)37(39)43-36-21-17-33(18-22-36)32-15-19-35(20-16-32)42-27-8-3/h15-26,30-31,34H,6-14,27-29H2,1-5H3