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3-(phenylmethyl)hexanedioic acid

3-(phenylmethyl)hexanedioic acid

Systemtic Name:3-(phenylmethyl)hexanedioic acid
Openeye Name:3-benzylhexanedioic acid
CAS Name:3-(phenylmethyl)hexanedioic acid
IUPAC Name:3-benzylhexanedioic acid
Traditional Name:3-benzyladipic acid
Formula: C13H16O4
MolecularWeight: 236.26374
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H16O4/c14-12(15)7-6-11(9-13(16)17)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)(H,16,17)


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