phenethyl 3-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-2,4-bis(oxidanyl)-6-pentyl-benzoate

Systemtic Name: phenethyl 3-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-2,4-bis(oxidanyl)-6-pentyl-benzoate Openeye Name: phenethyl 2,4-dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-6-pentyl-benzoate CAS Name: 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-6-pentylbenzoic acid phenethyl ester IUPAC Name: phenethyl 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoate Traditional Name: 6-amyl-2,4-dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]benzoic acid phenethyl ester Formula: C30H38O4 MolecularWeight: 462.62032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1C(=O)OCCC2=CC=CC=C2)O)C3C=C(CCC3C(=C)C)C)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1C(=O)OCCC2=CC=CC=C2)O)[C@@H]3C=C(CC[C@H]3C(=C)C)C)O

InChI

InChI=1S/C30H38O4/c1-5-6-8-13-23-19-26(31)28(25-18-21(4)14-15-24(25)20(2)3)29(32)27(23)30(33)34-17-16-22-11-9-7-10-12-22/h7,9-12,18-19,24-25,31-32H,2,5-6,8,13-17H2,1,3-4H3/t24-,25+/m0/s1