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

Systemtic Name: 4-(1,1-dimethyl-2-methylidene-benzo[e]indol-3-yl)butane-1-sulfonic acid Openeye Name: 4-(1,1-dimethyl-2-methylene-benzo[e]indol-3-yl)butane-1-sulfonic acid CAS Name: 4-(1,1-dimethyl-2-methylene-3-benzo[e]indolyl)-1-butanesulfonic acid IUPAC Name: 4-(1,1-dimethyl-2-methylidenebenzo[e]indol-3-yl)butane-1-sulfonic acid Traditional Name: 4-(1,1-dimethyl-2-methylene-benz[e]indol-3-yl)butane-1-sulfonic acid Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C)N(C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1(C(=C)N(C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C19H23NO3S/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/h4-5,8-11H,1,6-7,12-13H2,2-3H3,(H,21,22,23)