(2-octoxyphenyl) 1-oxidanyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (2-octoxyphenyl) 1-oxidanyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (2-octoxyphenyl) 1-hydroxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-hydroxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (2-octoxyphenyl) ester IUPAC Name: (2-octoxyphenyl) 1-hydroxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-hydroxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid (2-octoxyphenyl) ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C27H32O4/c1-2-3-4-5-6-12-21-30-24-15-10-11-16-25(24)31-26(28)27(29)19-17-23(18-20-27)22-13-8-7-9-14-22/h7-11,13-20,23,29H,2-6,12,21H2,1H3