4-methoxy-3-(3-methyl-2-oxidanyl-but-3-enyl)-6-oxidanyl-2-phenethyl-benzoic acid

Systemtic Name: 4-methoxy-3-(3-methyl-2-oxidanyl-but-3-enyl)-6-oxidanyl-2-phenethyl-benzoic acid Openeye Name: 6-hydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)-4-methoxy-2-phenethyl-benzoic acid CAS Name: 6-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-2-phenethylbenzoic acid IUPAC Name: 6-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-2-phenethylbenzoic acid Traditional Name: 6-hydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)-4-methoxy-2-phenethyl-benzoic acid Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC1=C(C=C(C(=C1CCC2=CC=CC=C2)C(=O)O)O)OC)O

Isomeric SMILES

CC(=C)C(CC1=C(C=C(C(=C1CCC2=CC=CC=C2)C(=O)O)O)OC)O

InChI

InChI=1S/C21H24O5/c1-13(2)17(22)11-16-15(10-9-14-7-5-4-6-8-14)20(21(24)25)18(23)12-19(16)26-3/h4-8,12,17,22-23H,1,9-11H2,2-3H3,(H,24,25)