6-[3-methyl-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid

Systemtic Name: 6-[3-methyl-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid Openeye Name: 6-[3-methyl-1-(3-sulfopropyl)indolin-3-yl]hexanoic acid CAS Name: 6-[3-methyl-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid IUPAC Name: 6-[3-methyl-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid Traditional Name: 6-[3-methyl-1-(3-sulfopropyl)indolin-3-yl]hexanoic acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC=CC=C21)CCCS(=O)(=O)O)CCCCCC(=O)O

Isomeric SMILES

CC1(CN(C2=CC=CC=C21)CCCS(=O)(=O)O)CCCCCC(=O)O

InChI

InChI=1S/C18H27NO5S/c1-18(11-6-2-3-10-17(20)21)14-19(12-7-13-25(22,23)24)16-9-5-4-8-15(16)18/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,20,21)(H,22,23,24)