(2S)-2-[(2R)-8-(5-chloranylindol-1-yl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-8-(5-chloranylindol-1-yl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-8-(5-chloroindol-1-yl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-8-(5-chloro-1-indolyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-8-(5-chloroindol-1-yl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-8-(5-chloroindol-1-yl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C20H26ClNO6 MolecularWeight: 411.87654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O)C=C1Cl

Isomeric SMILES

C1=CC2=C(C=CN2CCCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O)C=C1Cl

InChI

InChI=1S/C20H26ClNO6/c21-15-6-7-17-14(11-15)8-10-22(17)9-4-2-1-3-5-16(23)12-20(28,19(26)27)13-18(24)25/h6-8,10-11,16,23,28H,1-5,9,12-13H2,(H,24,25)(H,26,27)/t16-,20+/m1/s1