2-ethoxycarbonyl-6-oxidanyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-1H-indole-5-carboxylic acid

Systemtic Name: 2-ethoxycarbonyl-6-oxidanyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-1H-indole-5-carboxylic acid Openeye Name: 2-ethoxycarbonyl-6-hydroxy-3-(4-hydroxy-4-oxo-butyl)-1H-indole-5-carboxylic acid CAS Name: 2-ethoxycarbonyl-6-hydroxy-3-(4-hydroxy-4-oxobutyl)-1H-indole-5-carboxylic acid IUPAC Name: 2-ethoxycarbonyl-6-hydroxy-3-(4-hydroxy-4-oxobutyl)-1H-indole-5-carboxylic acid Traditional Name: 2-carbethoxy-6-hydroxy-3-(4-hydroxy-4-keto-butyl)-1H-indole-5-carboxylic acid Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)O)C(=O)O)CCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)O)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C16H17NO7/c1-2-24-16(23)14-8(4-3-5-13(19)20)9-6-10(15(21)22)12(18)7-11(9)17-14/h6-7,17-18H,2-5H2,1H3,(H,19,20)(H,21,22)