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

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

Systemtic Name:(2S,3S)-2-(phenylmethyl)-3-tridecyl-butanedioic acid
Openeye Name:(2S,3S)-2-benzyl-3-tridecyl-butanedioic acid
CAS Name:(2S,3S)-2-(phenylmethyl)-3-tridecylbutanedioic acid
IUPAC Name:(2S,3S)-2-benzyl-3-tridecylbutanedioic acid
Traditional Name:(2S,3S)-2-benzyl-3-tridecyl-succinic acid
Formula: C24H38O4
MolecularWeight: 390.55612
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23(25)26)22(24(27)28)19-20-16-13-12-14-17-20/h12-14,16-17,21-22H,2-11,15,18-19H2,1H3,(H,25,26)(H,27,28)/t21-,22-/m0/s1


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