(2S)-2-[(2R)-7-(3-chloranylcarbazol-9-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-7-(3-chloranylcarbazol-9-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-7-(3-chlorocarbazol-9-yl)-2-hydroxy-heptyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-7-(3-chloro-9-carbazolyl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-7-(3-chlorocarbazol-9-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-7-(3-chlorocarbazol-9-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2CCCCCC(CC(CC(=O)O)(C(=O)O)O)O)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2CCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O)C=CC(=C3)Cl

InChI

InChI=1S/C23H26ClNO6/c24-15-9-10-20-18(12-15)17-7-3-4-8-19(17)25(20)11-5-1-2-6-16(26)13-23(31,22(29)30)14-21(27)28/h3-4,7-10,12,16,26,31H,1-2,5-6,11,13-14H2,(H,27,28)(H,29,30)/t16-,23+/m1/s1