[2-decyl-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 2-phenyl-3H-benzimidazole-5-sulfonate

Systemtic Name: [2-decyl-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 2-phenyl-3H-benzimidazole-5-sulfonate Openeye Name: [2-decyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-phenyl-3H-benzimidazole-5-sulfonate CAS Name: 2-phenyl-3H-benzimidazole-5-sulfonic acid [2-decyl-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [2-decyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-3H-benzimidazole-5-sulfonate Traditional Name: 2-phenyl-3H-benzimidazole-5-sulfonic acid (2-decyl-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C29H40N2O8S MolecularWeight: 576.7015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C(C(C(C(O1)CO)O)O)O)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCC1(C(C(C(C(O1)CO)O)O)O)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C29H40N2O8S/c1-2-3-4-5-6-7-8-12-17-29(27(35)26(34)25(33)24(19-32)38-29)39-40(36,37)21-15-16-22-23(18-21)31-28(30-22)20-13-10-9-11-14-20/h9-11,13-16,18,24-27,32-35H,2-8,12,17,19H2,1H3,(H,30,31)