4-(1,1,2-trimethyl-2H-benzo[e]indol-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(1,1,2-trimethyl-2H-benzo[e]indol-3-yl)butane-1-sulfonic acid Openeye Name: 4-(1,1,2-trimethyl-2H-benzo[e]indol-3-yl)butane-1-sulfonic acid CAS Name: 4-(1,1,2-trimethyl-2H-benzo[e]indol-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(1,1,2-trimethyl-2H-benzo[e]indol-3-yl)butane-1-sulfonic acid Traditional Name: 4-(1,1,2-trimethyl-2H-benz[e]indol-3-yl)butane-1-sulfonic acid Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CCCCS(=O)(=O)O)C=CC3=CC=CC=C32)(C)C

Isomeric SMILES

CC1C(C2=C(N1CCCCS(=O)(=O)O)C=CC3=CC=CC=C32)(C)C

InChI

InChI=1S/C19H25NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H,21,22,23)