2-butyl-2-(phenylcarbonyl)hexanedioic acid

Systemtic Name: 2-butyl-2-(phenylcarbonyl)hexanedioic acid Openeye Name: 2-benzoyl-2-butyl-hexanedioic acid CAS Name: 2-benzoyl-2-butylhexanedioic acid IUPAC Name: 2-benzoyl-2-butylhexanedioic acid Traditional Name: 2-benzoyl-2-butyl-adipic acid Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC(=O)O)(C(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CCCC(=O)O)(C(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H22O5/c1-2-3-11-17(16(21)22,12-7-10-14(18)19)15(20)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,18,19)(H,21,22)