3-ethyl-2-oxidanyl-benzoate; 3-methyl-2-oxidanyl-benzoate; 2-oxidanyl-3-propyl-benzoate

Systemtic Name: 3-ethyl-2-oxidanyl-benzoate; 3-methyl-2-oxidanyl-benzoate; 2-oxidanyl-3-propyl-benzoate Openeye Name: 3-ethyl-2-hydroxy-benzoate; 2-hydroxy-3-methyl-benzoate; 2-hydroxy-3-propyl-benzoate CAS Name: 3-ethyl-2-hydroxybenzoate; 2-hydroxy-3-methylbenzoate; 2-hydroxy-3-propylbenzoate IUPAC Name: 3-ethyl-2-hydroxybenzoate; 2-hydroxy-3-methylbenzoate; 2-hydroxy-3-propylbenzoate Traditional Name: 3-ethyl-2-hydroxy-benzoate; 2-hydroxy-3-methyl-benzoate; 2-hydroxy-3-propyl-benzoate Formula: C27H27O9-3 MolecularWeight: 495.49788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1O)C(=O)[O-].CCC1=CC=CC(=C1O)C(=O)[O-].CC1=CC=CC(=C1O)C(=O)[O-]

Isomeric SMILES

CCCC1=CC=CC(=C1O)C(=O)[O-].CCC1=CC=CC(=C1O)C(=O)[O-].CC1=CC=CC(=C1O)C(=O)[O-]

InChI

InChI=1S/C10H12O3.C9H10O3.C8H8O3/c1-2-4-7-5-3-6-8(9(7)11)10(12)13;1-2-6-4-3-5-7(8(6)10)9(11)12;1-5-3-2-4-6(7(5)9)8(10)11/h3,5-6,11H,2,4H2,1H3,(H,12,13);3-5,10H,2H2,1H3,(H,11,12);2-4,9H,1H3,(H,10,11)/p-3