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

Systemtic Name: (2S)-2-[(2R)-8-(4-chloranyl-2-methoxy-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-8-(4-chloro-2-methoxy-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-8-(4-chloro-2-methoxyphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-8-(4-chloro-2-methoxyphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-8-(4-chloro-2-methoxy-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C19H27ClO7 MolecularWeight: 402.86648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)CCCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C19H27ClO7/c1-27-16-10-14(20)9-8-13(16)6-4-2-3-5-7-15(21)11-19(26,18(24)25)12-17(22)23/h8-10,15,21,26H,2-7,11-12H2,1H3,(H,22,23)(H,24,25)/t15-,19+/m1/s1