2-(1,1,2-trimethyl-7-sulfo-benzo[e]indol-3-ium-3-yl)ethanesulfonate

Systemtic Name: 2-(1,1,2-trimethyl-7-sulfo-benzo[e]indol-3-ium-3-yl)ethanesulfonate Openeye Name: 2-(1,1,2-trimethyl-7-sulfo-benzo[e]indol-3-ium-3-yl)ethanesulfonate CAS Name: 2-(1,1,2-trimethyl-7-sulfo-3-benzo[e]indol-3-iumyl)ethanesulfonate IUPAC Name: 2-(1,1,2-trimethyl-7-sulfobenzo[e]indol-3-ium-3-yl)ethanesulfonate Traditional Name: 2-(1,1,2-trimethyl-7-sulfo-benz[e]indol-3-ium-3-yl)ethanesulfonate Formula: C17H19NO6S2 MolecularWeight: 397.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)S(=O)(=O)O)CCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)S(=O)(=O)O)CCS(=O)(=O)[O-]

InChI

InChI=1S/C17H19NO6S2/c1-11-17(2,3)16-14-6-5-13(26(22,23)24)10-12(14)4-7-15(16)18(11)8-9-25(19,20)21/h4-7,10H,8-9H2,1-3H3,(H-,19,20,21,22,23,24)