1-(1H-benzo[e]indol-1-yl)butane-1-sulfonic acid

Systemtic Name: 1-(1H-benzo[e]indol-1-yl)butane-1-sulfonic acid Openeye Name: 1-(1H-benzo[e]indol-1-yl)butane-1-sulfonic acid CAS Name: 1-(1H-benzo[e]indol-1-yl)-1-butanesulfonic acid IUPAC Name: 1-(1H-benzo[e]indol-1-yl)butane-1-sulfonic acid Traditional Name: 1-(1H-benz[e]indol-1-yl)butane-1-sulfonic acid Formula: C16H17NO3S MolecularWeight: 303.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1C=NC2=C1C3=CC=CC=C3C=C2)S(=O)(=O)O

Isomeric SMILES

CCCC(C1C=NC2=C1C3=CC=CC=C3C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H17NO3S/c1-2-5-15(21(18,19)20)13-10-17-14-9-8-11-6-3-4-7-12(11)16(13)14/h3-4,6-10,13,15H,2,5H2,1H3,(H,18,19,20)