3-decyl-1-(furan-2-ylcarbonyl)-2-methyl-indole-5-sulfonic acid

Systemtic Name: 3-decyl-1-(furan-2-ylcarbonyl)-2-methyl-indole-5-sulfonic acid Openeye Name: 3-decyl-1-(furan-2-carbonyl)-2-methyl-indole-5-sulfonic acid CAS Name: 3-decyl-1-[2-furanyl(oxo)methyl]-2-methyl-5-indolesulfonic acid IUPAC Name: 3-decyl-1-(furan-2-carbonyl)-2-methylindole-5-sulfonic acid Traditional Name: 3-decyl-1-(2-furoyl)-2-methyl-indole-5-sulfonic acid Formula: C24H31NO5S MolecularWeight: 445.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=CO3)C

Isomeric SMILES

CCCCCCCCCCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=CO3)C

InChI

InChI=1S/C24H31NO5S/c1-3-4-5-6-7-8-9-10-12-20-18(2)25(24(26)23-13-11-16-30-23)22-15-14-19(17-21(20)22)31(27,28)29/h11,13-17H,3-10,12H2,1-2H3,(H,27,28,29)