(2S)-2-[(2R)-7-(6-chloranylindol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-7-(6-chloranylindol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-7-(6-chloroindol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-7-(6-chloro-1-indolyl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-7-(6-chloroindol-1-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-7-(6-chloroindol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid Formula: C19H24ClNO6 MolecularWeight: 397.84996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CCCCCC(CC(CC(=O)O)(C(=O)O)O)O)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O)Cl

InChI

InChI=1S/C19H24ClNO6/c20-14-6-5-13-7-9-21(16(13)10-14)8-3-1-2-4-15(22)11-19(27,18(25)26)12-17(23)24/h5-7,9-10,15,22,27H,1-4,8,11-12H2,(H,23,24)(H,25,26)/t15-,19+/m1/s1