4-methoxy-3-[2-[(4S)-4-methyl-3,4-bis(oxidanyl)cyclohexyl]prop-2-enyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-methoxy-3-[2-[(4S)-4-methyl-3,4-bis(oxidanyl)cyclohexyl]prop-2-enyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-[(4S)-3,4-dihydroxy-4-methyl-cyclohexyl]allyl]-2-hydroxy-4-methoxy-benzoic acid CAS Name: 3-[2-[(4S)-3,4-dihydroxy-4-methylcyclohexyl]prop-2-enyl]-2-hydroxy-4-methoxybenzoic acid IUPAC Name: 3-[2-[(4S)-3,4-dihydroxy-4-methylcyclohexyl]prop-2-enyl]-2-hydroxy-4-methoxybenzoic acid Traditional Name: 3-[2-[(4S)-3,4-dihydroxy-4-methyl-cyclohexyl]allyl]-2-hydroxy-4-methoxy-benzoic acid Formula: C18H24O6 MolecularWeight: 336.37956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1O)C(=C)CC2=C(C=CC(=C2O)C(=O)O)OC)O

Isomeric SMILES

C[C@@]1(CCC(CC1O)C(=C)CC2=C(C=CC(=C2O)C(=O)O)OC)O

InChI

InChI=1S/C18H24O6/c1-10(11-6-7-18(2,23)15(19)9-11)8-13-14(24-3)5-4-12(16(13)20)17(21)22/h4-5,11,15,19-20,23H,1,6-9H2,2-3H3,(H,21,22)/t11?,15?,18-/m0/s1