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

Systemtic Name: (2S)-2-[(2R)-8-(4-chloranyl-2-oxidanyl-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-8-(4-chloro-2-hydroxy-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-8-(4-chloro-2-hydroxyphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-8-(4-chloro-2-hydroxyphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-8-(4-chloro-2-hydroxy-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C18H25ClO7 MolecularWeight: 388.8399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)O)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClO7/c19-13-8-7-12(15(21)9-13)5-3-1-2-4-6-14(20)10-18(26,17(24)25)11-16(22)23/h7-9,14,20-21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1