(2S)-2-[(2R)-6-(5-chloranylindol-1-yl)-2-oxidanyl-hexyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-6-(5-chloranylindol-1-yl)-2-oxidanyl-hexyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-6-(5-chloroindol-1-yl)-2-hydroxy-hexyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-6-(5-chloro-1-indolyl)-2-hydroxyhexyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-6-(5-chloroindol-1-yl)-2-hydroxyhexyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-6-(5-chloroindol-1-yl)-2-hydroxy-hexyl]-2-hydroxy-succinic acid Formula: C18H22ClNO6 MolecularWeight: 383.82338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CCCCC(CC(CC(=O)O)(C(=O)O)O)O)C=C1Cl

Isomeric SMILES

C1=CC2=C(C=CN2CCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O)C=C1Cl

InChI

InChI=1S/C18H22ClNO6/c19-13-4-5-15-12(9-13)6-8-20(15)7-2-1-3-14(21)10-18(26,17(24)25)11-16(22)23/h4-6,8-9,14,21,26H,1-3,7,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1