3-[[(1S)-7-bromanyl-4-methoxy-3-oxidanylidene-1,2-dihydroinden-1-yl]methyl]pentanedioate

Systemtic Name: 3-[[(1S)-7-bromanyl-4-methoxy-3-oxidanylidene-1,2-dihydroinden-1-yl]methyl]pentanedioate Openeye Name: 3-[[(1S)-7-bromo-4-methoxy-3-oxo-indan-1-yl]methyl]pentanedioate CAS Name: 3-[[(1S)-7-bromo-4-methoxy-3-oxo-1,2-dihydroinden-1-yl]methyl]pentanedioate IUPAC Name: 3-[[(1S)-7-bromo-4-methoxy-3-oxo-1,2-dihydroinden-1-yl]methyl]pentanedioate Traditional Name: 3-[[(1S)-7-bromo-3-keto-4-methoxy-indan-1-yl]methyl]glutarate Formula: C16H15BrO6-2 MolecularWeight: 383.1907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)CC(C2=C(C=C1)Br)CC(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

COC1=C2C(=O)C[C@@H](C2=C(C=C1)Br)CC(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C16H17BrO6/c1-23-12-3-2-10(17)15-9(7-11(18)16(12)15)4-8(5-13(19)20)6-14(21)22/h2-3,8-9H,4-7H2,1H3,(H,19,20)(H,21,22)/p-2/t9-/m0/s1