2-hexyl-2-phenyl-butanedioic acid

Systemtic Name: 2-hexyl-2-phenyl-butanedioic acid Openeye Name: 2-hexyl-2-phenyl-butanedioic acid CAS Name: 2-hexyl-2-phenylbutanedioic acid IUPAC Name: 2-hexyl-2-phenylbutanedioic acid Traditional Name: 2-hexyl-2-phenyl-succinic acid Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4/c1-2-3-4-8-11-16(15(19)20,12-14(17)18)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,17,18)(H,19,20)