3-[3-(3-carboxyphenoxy)-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 3-[3-(3-carboxyphenoxy)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 3-[3-(3-carboxyphenoxy)-2-hydroxy-propoxy]benzoic acid CAS Name: 3-[3-(3-carboxyphenoxy)-2-hydroxypropoxy]benzoic acid IUPAC Name: 3-[3-(3-carboxyphenoxy)-2-hydroxypropoxy]benzoic acid Traditional Name: 3-[3-(3-carboxyphenoxy)-2-hydroxy-propoxy]benzoic acid Formula: C17H16O7 MolecularWeight: 332.30474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(COC2=CC=CC(=C2)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC(COC2=CC=CC(=C2)C(=O)O)O)C(=O)O

InChI

InChI=1S/C17H16O7/c18-13(9-23-14-5-1-3-11(7-14)16(19)20)10-24-15-6-2-4-12(8-15)17(21)22/h1-8,13,18H,9-10H2,(H,19,20)(H,21,22)