1-(furan-2-ylcarbonyl)-3-(4-methoxy-4-oxidanylidene-butyl)-2-methyl-indole-5-sulfonic acid

Systemtic Name: 1-(furan-2-ylcarbonyl)-3-(4-methoxy-4-oxidanylidene-butyl)-2-methyl-indole-5-sulfonic acid Openeye Name: 1-(furan-2-carbonyl)-3-(4-methoxy-4-oxo-butyl)-2-methyl-indole-5-sulfonic acid CAS Name: 1-[2-furanyl(oxo)methyl]-3-(4-methoxy-4-oxobutyl)-2-methyl-5-indolesulfonic acid IUPAC Name: 1-(furan-2-carbonyl)-3-(4-methoxy-4-oxobutyl)-2-methylindole-5-sulfonic acid Traditional Name: 1-(2-furoyl)-3-(4-keto-4-methoxy-butyl)-2-methyl-indole-5-sulfonic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-12-14(5-3-7-18(21)26-2)15-11-13(28(23,24)25)8-9-16(15)20(12)19(22)17-6-4-10-27-17/h4,6,8-11H,3,5,7H2,1-2H3,(H,23,24,25)