1-(furan-2-ylcarbonyl)-3-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indole-5-sulfonic acid

Systemtic Name: 1-(furan-2-ylcarbonyl)-3-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indole-5-sulfonic acid Openeye Name: 1-(furan-2-carbonyl)-3-(3-methoxy-3-oxo-propyl)-2-methyl-indole-5-sulfonic acid CAS Name: 1-[2-furanyl(oxo)methyl]-3-(3-methoxy-3-oxopropyl)-2-methyl-5-indolesulfonic acid IUPAC Name: 1-(furan-2-carbonyl)-3-(3-methoxy-3-oxopropyl)-2-methylindole-5-sulfonic acid Traditional Name: 1-(2-furoyl)-3-(3-keto-3-methoxy-propyl)-2-methyl-indole-5-sulfonic acid Formula: C18H17NO7S MolecularWeight: 391.39508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=CO3)C=CC(=C2)S(=O)(=O)O)CCC(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=CO3)C=CC(=C2)S(=O)(=O)O)CCC(=O)OC

InChI

InChI=1S/C18H17NO7S/c1-11-13(6-8-17(20)25-2)14-10-12(27(22,23)24)5-7-15(14)19(11)18(21)16-4-3-9-26-16/h3-5,7,9-10H,6,8H2,1-2H3,(H,22,23,24)