4-methanoyl-3-oxidanyl-benzoic acid; 3-methylpentane

Systemtic Name: 4-methanoyl-3-oxidanyl-benzoic acid; 3-methylpentane Openeye Name: 4-formyl-3-hydroxy-benzoic acid; 3-methylpentane CAS Name: 4-formyl-3-hydroxybenzoic acid; 3-methylpentane IUPAC Name: 4-formyl-3-hydroxybenzoic acid; 3-methylpentane Traditional Name: 4-formyl-3-hydroxy-benzoic acid; 3-methylpentane Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC.C1=CC(=C(C=C1C(=O)O)O)C=O

Isomeric SMILES

CCC(C)CC.C1=CC(=C(C=C1C(=O)O)O)C=O

InChI

InChI=1S/C8H6O4.C6H14/c9-4-6-2-1-5(8(11)12)3-7(6)10;1-4-6(3)5-2/h1-4,10H,(H,11,12);6H,4-5H2,1-3H3