6-(2,3-dimethyl-5-sulfo-1,2-dihydroindol-3-yl)hexanoic acid

Systemtic Name: 6-(2,3-dimethyl-5-sulfo-1,2-dihydroindol-3-yl)hexanoic acid Openeye Name: 6-(2,3-dimethyl-5-sulfo-indolin-3-yl)hexanoic acid CAS Name: 6-(2,3-dimethyl-5-sulfo-1,2-dihydroindol-3-yl)hexanoic acid IUPAC Name: 6-(2,3-dimethyl-5-sulfo-1,2-dihydroindol-3-yl)hexanoic acid Traditional Name: 6-(2,3-dimethyl-5-sulfo-indolin-3-yl)hexanoic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1)C=CC(=C2)S(=O)(=O)O)(C)CCCCCC(=O)O

Isomeric SMILES

CC1C(C2=C(N1)C=CC(=C2)S(=O)(=O)O)(C)CCCCCC(=O)O

InChI

InChI=1S/C16H23NO5S/c1-11-16(2,9-5-3-4-6-15(18)19)13-10-12(23(20,21)22)7-8-14(13)17-11/h7-8,10-11,17H,3-6,9H2,1-2H3,(H,18,19)(H,20,21,22)