sodium 4-(1,1,2-trimethylbenzo[e]indol-8-yl)oxybutane-1-sulfonate

Systemtic Name: sodium 4-(1,1,2-trimethylbenzo[e]indol-8-yl)oxybutane-1-sulfonate Openeye Name: sodium 4-(1,1,2-trimethylbenzo[e]indol-8-yl)oxybutane-1-sulfonate CAS Name: sodium 4-[(1,1,2-trimethyl-8-benzo[e]indolyl)oxy]-1-butanesulfonate IUPAC Name: sodium 4-(1,1,2-trimethylbenzo[e]indol-8-yl)oxybutane-1-sulfonate Traditional Name: sodium 4-(1,1,2-trimethylbenz[e]indol-8-yl)oxybutane-1-sulfonate Formula: C19H22NNaO4S MolecularWeight: 383.43705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C)C3=C(C=CC(=C3)OCCCCS(=O)(=O)[O-])C=C2.[Na+]

Isomeric SMILES

CC1=NC2=C(C1(C)C)C3=C(C=CC(=C3)OCCCCS(=O)(=O)[O-])C=C2.[Na+]

InChI

InChI=1S/C19H23NO4S.Na/c1-13-19(2,3)18-16-12-15(24-10-4-5-11-25(21,22)23)8-6-14(16)7-9-17(18)20-13;/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22,23);/q;+1/p-1