3-methanoyl-2-methyl-benzoic acid; methyl 3-methanoylbenzoate

Systemtic Name: 3-methanoyl-2-methyl-benzoic acid; methyl 3-methanoylbenzoate Openeye Name: 3-formyl-2-methyl-benzoic acid; methyl 3-formylbenzoate CAS Name: 3-formylbenzoic acid methyl ester; 3-formyl-2-methylbenzoic acid IUPAC Name: 3-formyl-2-methylbenzoic acid; methyl 3-formylbenzoate Traditional Name: 3-formylbenzoic acid methyl ester; 3-formyl-2-methyl-benzoic acid Formula: C18H16O6 MolecularWeight: 328.31604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C=O.COC(=O)C1=CC=CC(=C1)C=O

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C=O.COC(=O)C1=CC=CC(=C1)C=O

InChI

InChI=1S/2C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10;1-6-7(5-10)3-2-4-8(6)9(11)12/h2-6H,1H3;2-5H,1H3,(H,11,12)