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(2S,3S)-2-(7-oxidanylheptyl)-3-(phenylmethyl)butanedioic acid

(2S,3S)-2-(7-oxidanylheptyl)-3-(phenylmethyl)butanedioic acid

Systemtic Name:(2S,3S)-2-(7-oxidanylheptyl)-3-(phenylmethyl)butanedioic acid
Openeye Name:(2S,3S)-2-benzyl-3-(7-hydroxyheptyl)butanedioic acid
CAS Name:(2S,3S)-2-(7-hydroxyheptyl)-3-(phenylmethyl)butanedioic acid
IUPAC Name:(2S,3S)-2-benzyl-3-(7-hydroxyheptyl)butanedioic acid
Traditional Name:(2S,3S)-2-benzyl-3-(7-hydroxyheptyl)succinic acid
Formula: C18H26O5
MolecularWeight: 322.39604
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CCCCCCCO)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H](CCCCCCCO)C(=O)O)C(=O)O


InChI

InChI=1S/C18H26O5/c19-12-8-3-1-2-7-11-15(17(20)21)16(18(22)23)13-14-9-5-4-6-10-14/h4-6,9-10,15-16,19H,1-3,7-8,11-13H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1


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