3-methoxy-4-oxidanyl-benzoic acid; 3-methyl-4-oxidanyl-benzoic acid

Systemtic Name: 3-methoxy-4-oxidanyl-benzoic acid; 3-methyl-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-methoxy-benzoic acid; 4-hydroxy-3-methyl-benzoic acid CAS Name: 4-hydroxy-3-methoxybenzoic acid; 4-hydroxy-3-methylbenzoic acid IUPAC Name: 4-hydroxy-3-methoxybenzoic acid; 4-hydroxy-3-methylbenzoic acid Traditional Name: 4-hydroxy-3-methyl-benzoic acid; vanillic acid Formula: C16H16O7 MolecularWeight: 320.29404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)O.COC1=C(C=CC(=C1)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)O.COC1=C(C=CC(=C1)C(=O)O)O

InChI

InChI=1S/C8H8O4.C8H8O3/c1-12-7-4-5(8(10)11)2-3-6(7)9;1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11);2-4,9H,1H3,(H,10,11)