1-octylindole-2,5-dicarboxylic acid

Systemtic Name: 1-octylindole-2,5-dicarboxylic acid Openeye Name: 1-octylindole-2,5-dicarboxylic acid CAS Name: 1-octylindole-2,5-dicarboxylic acid IUPAC Name: 1-octylindole-2,5-dicarboxylic acid Traditional Name: 1-octylindole-2,5-dicarboxylic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=C(C=C2)C(=O)O)C=C1C(=O)O

Isomeric SMILES

CCCCCCCCN1C2=C(C=C(C=C2)C(=O)O)C=C1C(=O)O

InChI

InChI=1S/C18H23NO4/c1-2-3-4-5-6-7-10-19-15-9-8-13(17(20)21)11-14(15)12-16(19)18(22)23/h8-9,11-12H,2-7,10H2,1H3,(H,20,21)(H,22,23)