5-(phenylmethyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(phenylmethyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-benzylbenzene-1,3-dicarboxylic acid CAS Name: 5-(phenylmethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-benzylbenzene-1,3-dicarboxylic acid Traditional Name: 5-benzylisophthalic acid Formula: C15H12O4 MolecularWeight: 256.25338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O4/c16-14(17)12-7-11(8-13(9-12)15(18)19)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17)(H,18,19)