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

Systemtic Name: 3-[(6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-2,4-bis(oxidanyl)-6-pentyl-benzoate Openeye Name: 2,4-dihydroxy-3-[(6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-6-pentyl-benzoate CAS Name: 2,4-dihydroxy-3-[(6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-6-pentylbenzoate IUPAC Name: 2,4-dihydroxy-3-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoate Traditional Name: 6-amyl-2,4-dihydroxy-3-[(6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]benzoate Formula: C22H29O4- MolecularWeight: 357.46326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1C(=O)[O-])O)C2C=C(CCC2C(=C)C)C)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1C(=O)[O-])O)C2C=C(CC[C@H]2C(=C)C)C)O

InChI

InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/p-1/t16-,17?/m0/s1