(2S,3S)-2-hexyl-3-(phenylmethyl)butanedioic acid

Systemtic Name: (2S,3S)-2-hexyl-3-(phenylmethyl)butanedioic acid Openeye Name: (2S,3S)-2-benzyl-3-hexyl-butanedioic acid CAS Name: (2S,3S)-2-hexyl-3-(phenylmethyl)butanedioic acid IUPAC Name: (2S,3S)-2-benzyl-3-hexylbutanedioic acid Traditional Name: (2S,3S)-2-benzyl-3-hexyl-succinic acid Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC1=CC=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC[C@@H]([C@H](CC1=CC=CC=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C17H24O4/c1-2-3-4-8-11-14(16(18)19)15(17(20)21)12-13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3,(H,18,19)(H,20,21)/t14-,15-/m0/s1