(2S)-2-[(4R,5R)-6-(3,4-dichlorophenyl)-5-(3-fluoranyl-4-phenyl-phenyl)-4-methyl-2-oxidanylidene-hexyl]butanedioic acid

Systemtic Name: (2S)-2-[(4R,5R)-6-(3,4-dichlorophenyl)-5-(3-fluoranyl-4-phenyl-phenyl)-4-methyl-2-oxidanylidene-hexyl]butanedioic acid Openeye Name: (2S)-2-[(4R,5R)-6-(3,4-dichlorophenyl)-5-(3-fluoro-4-phenyl-phenyl)-4-methyl-2-oxo-hexyl]butanedioic acid CAS Name: (2S)-2-[(4R,5R)-6-(3,4-dichlorophenyl)-5-(3-fluoro-4-phenylphenyl)-4-methyl-2-oxohexyl]butanedioic acid IUPAC Name: (2S)-2-[(4R,5R)-6-(3,4-dichlorophenyl)-5-(3-fluoro-4-phenylphenyl)-4-methyl-2-oxohexyl]butanedioic acid Traditional Name: (2S)-2-[(4R,5R)-6-(3,4-dichlorophenyl)-5-(3-fluoro-4-phenyl-phenyl)-2-keto-4-methyl-hexyl]succinic acid Formula: C29H27Cl2FO5 MolecularWeight: 545.426083

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC(CC(=O)O)C(=O)O)C(CC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

C[C@H](CC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](CC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C29H27Cl2FO5/c1-17(11-22(33)14-21(29(36)37)16-28(34)35)24(12-18-7-10-25(30)26(31)13-18)20-8-9-23(27(32)15-20)19-5-3-2-4-6-19/h2-10,13,15,17,21,24H,11-12,14,16H2,1H3,(H,34,35)(H,36,37)/t17-,21+,24-/m1/s1