2-butan-2-yl-4-phenethyl-pentanedioic acid

Systemtic Name: 2-butan-2-yl-4-phenethyl-pentanedioic acid Openeye Name: 2-phenethyl-4-sec-butyl-pentanedioic acid CAS Name: 2-butan-2-yl-4-phenethylpentanedioic acid IUPAC Name: 2-butan-2-yl-4-phenethylpentanedioic acid Traditional Name: 2-phenethyl-4-sec-butyl-glutaric acid Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(CCC1=CC=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C(CC(CCC1=CC=CC=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C17H24O4/c1-3-12(2)15(17(20)21)11-14(16(18)19)10-9-13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3,(H,18,19)(H,20,21)