methyl 3-(3-methyl-2-oxidanyl-but-3-enyl)-4-oxidanyl-benzoate

Systemtic Name: methyl 3-(3-methyl-2-oxidanyl-but-3-enyl)-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)benzoate CAS Name: 4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzoate Traditional Name: 4-hydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC1=C(C=CC(=C1)C(=O)OC)O)O

Isomeric SMILES

CC(=C)C(CC1=C(C=CC(=C1)C(=O)OC)O)O

InChI

InChI=1S/C13H16O4/c1-8(2)12(15)7-10-6-9(13(16)17-3)4-5-11(10)14/h4-6,12,14-15H,1,7H2,2-3H3