3-bromanyl-6-[(1S,2R,5R)-2-carboxy-5-propan-2-yl-cyclopentyl]-4-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-bromanyl-6-[(1S,2R,5R)-2-carboxy-5-propan-2-yl-cyclopentyl]-4-methyl-2-oxidanyl-benzoic acid Openeye Name: 3-bromo-6-[(1S,2R,5R)-2-carboxy-5-isopropyl-cyclopentyl]-2-hydroxy-4-methyl-benzoic acid CAS Name: 3-bromo-6-[(1S,2R,5R)-2-carboxy-5-propan-2-ylcyclopentyl]-2-hydroxy-4-methylbenzoic acid IUPAC Name: 3-bromo-6-[(1S,2R,5R)-2-carboxy-5-propan-2-ylcyclopentyl]-2-hydroxy-4-methylbenzoic acid Traditional Name: 3-bromo-6-[(1S,2R,5R)-2-carboxy-5-isopropyl-cyclopentyl]-2-hydroxy-4-methyl-benzoic acid Formula: C17H21BrO5 MolecularWeight: 385.24964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2C(CCC2C(=O)O)C(C)C)C(=O)O)O)Br

Isomeric SMILES

CC1=C(C(=C(C(=C1)[C@H]2[C@H](CC[C@H]2C(=O)O)C(C)C)C(=O)O)O)Br

InChI

InChI=1S/C17H21BrO5/c1-7(2)9-4-5-10(16(20)21)12(9)11-6-8(3)14(18)15(19)13(11)17(22)23/h6-7,9-10,12,19H,4-5H2,1-3H3,(H,20,21)(H,22,23)/t9-,10-,12+/m1/s1