phenethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)-6-pentyl-benzoate

Systemtic Name: phenethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)-6-pentyl-benzoate Openeye Name: phenethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentyl-benzoate CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid phenethyl ester IUPAC Name: phenethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoate Traditional Name: 6-amyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-benzoic acid phenethyl ester Formula: C30H40O4 MolecularWeight: 464.6362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1C(=O)OCCC2=CC=CC=C2)O)CC=C(C)CCC=C(C)C)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1C(=O)OCCC2=CC=CC=C2)O)C/C=C(\C)/CCC=C(C)C)O

InChI

InChI=1S/C30H40O4/c1-5-6-8-16-25-21-27(31)26(18-17-23(4)13-11-12-22(2)3)29(32)28(25)30(33)34-20-19-24-14-9-7-10-15-24/h7,9-10,12,14-15,17,21,31-32H,5-6,8,11,13,16,18-20H2,1-4H3/b23-17+