6-[2,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid

Systemtic Name: 6-[2,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid Openeye Name: 6-[2,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-3-yl]hexanoic acid CAS Name: 6-[2,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid IUPAC Name: 6-[2,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-3-yl]hexanoic acid Traditional Name: 6-[2,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-3-yl]hexanoic acid Formula: C19H29NO8S2 MolecularWeight: 463.56546

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)CCCCCC(=O)O

Isomeric SMILES

CC1C(C2=C(N1CCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)CCCCCC(=O)O

InChI

InChI=1S/C19H29NO8S2/c1-14-19(2,10-5-3-4-7-18(21)22)16-13-15(30(26,27)28)8-9-17(16)20(14)11-6-12-29(23,24)25/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,21,22)(H,23,24,25)(H,26,27,28)