5-[(3-carboxy-4-oxidanyl-phenyl)-(3-hydroxyphenyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-carboxy-4-oxidanyl-phenyl)-(3-hydroxyphenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(3-hydroxyphenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-[(3-carboxy-4-hydroxyphenyl)-(3-hydroxyphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)-(3-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(3-hydroxyphenyl)methyl]-2-hydroxy-benzoic acid Formula: C21H16O7 MolecularWeight: 380.34754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H16O7/c22-14-3-1-2-11(8-14)19(12-4-6-17(23)15(9-12)20(25)26)13-5-7-18(24)16(10-13)21(27)28/h1-10,19,22-24H,(H,25,26)(H,27,28)