2-bromanyl-3-chloranyl-6-(1H-indol-3-yl)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-bromanyl-3-chloranyl-6-(1H-indol-3-yl)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid Openeye Name: 2-bromo-3-chloro-2,3,4,5-tetrahydroxy-6-(1H-indol-3-yl)-6-oxo-hexanoic acid CAS Name: 2-bromo-3-chloro-2,3,4,5-tetrahydroxy-6-(1H-indol-3-yl)-6-oxohexanoic acid IUPAC Name: 2-bromo-3-chloro-2,3,4,5-tetrahydroxy-6-(1H-indol-3-yl)-6-oxohexanoic acid Traditional Name: 2-bromo-3-chloro-2,3,4,5-tetrahydroxy-6-(1H-indol-3-yl)-6-keto-hexanoic acid Formula: C14H13BrClNO7 MolecularWeight: 422.61252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)C(C(C(C(C(=O)O)(O)Br)(O)Cl)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C(C(C(C(C(=O)O)(O)Br)(O)Cl)O)O

InChI

InChI=1S/C14H13BrClNO7/c15-13(23,12(21)22)14(16,24)11(20)10(19)9(18)7-5-17-8-4-2-1-3-6(7)8/h1-5,10-11,17,19-20,23-24H,(H,21,22)