3-[3-(3-carboxyphenyl)-3-oxidanyl-propyl]benzoic acid

Systemtic Name: 3-[3-(3-carboxyphenyl)-3-oxidanyl-propyl]benzoic acid Openeye Name: 3-[3-(3-carboxyphenyl)-3-hydroxy-propyl]benzoic acid CAS Name: 3-[3-(3-carboxyphenyl)-3-hydroxypropyl]benzoic acid IUPAC Name: 3-[3-(3-carboxyphenyl)-3-hydroxypropyl]benzoic acid Traditional Name: 3-[3-(3-carboxyphenyl)-3-hydroxy-propyl]benzoic acid Formula: C17H16O5 MolecularWeight: 300.30594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O5/c18-15(12-4-2-6-14(10-12)17(21)22)8-7-11-3-1-5-13(9-11)16(19)20/h1-6,9-10,15,18H,7-8H2,(H,19,20)(H,21,22)