(2S)-2-[(2R)-8-(4-chloranyl-2-phenylmethoxy-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-8-(4-chloranyl-2-phenylmethoxy-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-8-(2-benzyloxy-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-8-(4-chloro-2-phenylmethoxyphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-8-(4-chloro-2-phenylmethoxyphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-8-(2-benzoxy-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C25H31ClO7 MolecularWeight: 478.96244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Cl)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Cl)CCCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C25H31ClO7/c26-20-13-12-19(22(14-20)33-17-18-8-4-3-5-9-18)10-6-1-2-7-11-21(27)15-25(32,24(30)31)16-23(28)29/h3-5,8-9,12-14,21,27,32H,1-2,6-7,10-11,15-17H2,(H,28,29)(H,30,31)/t21-,25+/m1/s1