3-[3-(3-carboxyphenyl)heptan-3-yl]benzoic acid

Systemtic Name: 3-[3-(3-carboxyphenyl)heptan-3-yl]benzoic acid Openeye Name: 3-[1-(3-carboxyphenyl)-1-ethyl-pentyl]benzoic acid CAS Name: 3-[3-(3-carboxyphenyl)heptan-3-yl]benzoic acid IUPAC Name: 3-[3-(3-carboxyphenyl)heptan-3-yl]benzoic acid Traditional Name: 3-[1-(3-carboxyphenyl)-1-ethyl-pentyl]benzoic acid Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4/c1-3-5-12-21(4-2,17-10-6-8-15(13-17)19(22)23)18-11-7-9-16(14-18)20(24)25/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,23)(H,24,25)