4-(1,1-dimethyl-2-oxidanylidene-benzo[e]indol-3-yl)butane-1-sulfonate

Systemtic Name: 4-(1,1-dimethyl-2-oxidanylidene-benzo[e]indol-3-yl)butane-1-sulfonate Openeye Name: 4-(1,1-dimethyl-2-oxo-benzo[e]indol-3-yl)butane-1-sulfonate CAS Name: 4-(1,1-dimethyl-2-oxo-3-benzo[e]indolyl)-1-butanesulfonate IUPAC Name: 4-(1,1-dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonate Traditional Name: 4-(2-keto-1,1-dimethyl-benz[e]indol-3-yl)butane-1-sulfonate Formula: C18H20NO4S- MolecularWeight: 346.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC3=CC=CC=C32)N(C1=O)CCCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1(C2=C(C=CC3=CC=CC=C32)N(C1=O)CCCCS(=O)(=O)[O-])C

InChI

InChI=1S/C18H21NO4S/c1-18(2)16-14-8-4-3-7-13(14)9-10-15(16)19(17(18)20)11-5-6-12-24(21,22)23/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,21,22,23)/p-1