2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate

Systemtic Name: 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate Openeye Name: 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate CAS Name: 2,3,3-trimethyl-1-(4-sulfonatobutyl)-5-indol-1-iumsulfonate IUPAC Name: 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate Traditional Name: 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate Formula: C15H20NO6S2- MolecularWeight: 374.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H21NO6S2/c1-11-15(2,3)13-10-12(24(20,21)22)6-7-14(13)16(11)8-4-5-9-23(17,18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H-,17,18,19,20,21,22)/p-1