6-(1,2,3-trimethyl-5-sulfo-2H-indol-3-yl)hexanoic acid

Systemtic Name: 6-(1,2,3-trimethyl-5-sulfo-2H-indol-3-yl)hexanoic acid Openeye Name: 6-(1,2,3-trimethyl-5-sulfo-indolin-3-yl)hexanoic acid CAS Name: 6-(1,2,3-trimethyl-5-sulfo-2H-indol-3-yl)hexanoic acid IUPAC Name: 6-(1,2,3-trimethyl-5-sulfo-2H-indol-3-yl)hexanoic acid Traditional Name: 6-(1,2,3-trimethyl-5-sulfo-indolin-3-yl)hexanoic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1C)C=CC(=C2)S(=O)(=O)O)(C)CCCCCC(=O)O

Isomeric SMILES

CC1C(C2=C(N1C)C=CC(=C2)S(=O)(=O)O)(C)CCCCCC(=O)O

InChI

InChI=1S/C17H25NO5S/c1-12-17(2,10-6-4-5-7-16(19)20)14-11-13(24(21,22)23)8-9-15(14)18(12)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,20)(H,21,22,23)