1-(1-oxidanylpentan-2-yl)-2-phenyl-indole-3-sulfonic acid

Systemtic Name: 1-(1-oxidanylpentan-2-yl)-2-phenyl-indole-3-sulfonic acid Openeye Name: 1-[1-(hydroxymethyl)butyl]-2-phenyl-indole-3-sulfonic acid CAS Name: 1-(1-hydroxypentan-2-yl)-2-phenyl-3-indolesulfonic acid IUPAC Name: 1-(1-hydroxypentan-2-yl)-2-phenylindole-3-sulfonic acid Traditional Name: 1-(1-methylolbutyl)-2-phenyl-indole-3-sulfonic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)N1C2=CC=CC=C2C(=C1C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCC(CO)N1C2=CC=CC=C2C(=C1C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C19H21NO4S/c1-2-8-15(13-21)20-17-12-7-6-11-16(17)19(25(22,23)24)18(20)14-9-4-3-5-10-14/h3-7,9-12,15,21H,2,8,13H2,1H3,(H,22,23,24)