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4-(phenylmethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

4-(phenylmethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

Systemtic Name:4-(phenylmethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid
Openeye Name:4-benzylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid
CAS Name:4-(phenylmethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid
IUPAC Name:4-benzylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid
Traditional Name:4-benzylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid
Formula: C17H14O8
MolecularWeight: 346.28826
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H14O8/c18-12(19)16(13(20)21)7-6-11(8-10-4-2-1-3-5-10)9-17(16,14(22)23)15(24)25/h1-7,9H,8H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)


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