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4-(phenylmethyl)decane-1,2,10-tricarboxylic acid

4-(phenylmethyl)decane-1,2,10-tricarboxylic acid

Systemtic Name:4-(phenylmethyl)decane-1,2,10-tricarboxylic acid
Openeye Name:4-benzyldecane-1,2,10-tricarboxylic acid
CAS Name:4-(phenylmethyl)decane-1,2,10-tricarboxylic acid
IUPAC Name:4-benzyldecane-1,2,10-tricarboxylic acid
Traditional Name:4-benzyldecane-1,2,10-tricarboxylic acid
Formula: C20H28O6
MolecularWeight: 364.43272
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCCCCCC(=O)O)CC(CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CC(CCCCCCC(=O)O)CC(CC(=O)O)C(=O)O


InChI

InChI=1S/C20H28O6/c21-18(22)11-7-2-1-4-10-16(12-15-8-5-3-6-9-15)13-17(20(25)26)14-19(23)24/h3,5-6,8-9,16-17H,1-2,4,7,10-14H2,(H,21,22)(H,23,24)(H,25,26)


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