benzoic acid; 2-oxidanylbenzoic acid; 2-oxidanylbutanedioic acid

Systemtic Name: benzoic acid; 2-oxidanylbenzoic acid; 2-oxidanylbutanedioic acid Openeye Name: benzoic acid; 2-hydroxybenzoic acid; 2-hydroxybutanedioic acid CAS Name: benzoic acid; 2-hydroxybenzoic acid; 2-hydroxybutanedioic acid IUPAC Name: benzoic acid; 2-hydroxybenzoic acid; 2-hydroxybutanedioic acid Traditional Name: benzoic acid; malic acid; salicylic acid Formula: C18H18O10 MolecularWeight: 394.32952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O3.C7H6O2.C4H6O5/c8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6;5-2(4(8)9)1-3(6)7/h1-4,8H,(H,9,10);1-5H,(H,8,9);2,5H,1H2,(H,6,7)(H,8,9)