4-[1-(furan-2-ylcarbonyl)-2-methyl-5-sulfo-indol-3-yl]butanoic acid

Systemtic Name: 4-[1-(furan-2-ylcarbonyl)-2-methyl-5-sulfo-indol-3-yl]butanoic acid Openeye Name: 4-[1-(furan-2-carbonyl)-2-methyl-5-sulfo-indol-3-yl]butanoic acid CAS Name: 4-[1-[2-furanyl(oxo)methyl]-2-methyl-5-sulfo-3-indolyl]butanoic acid IUPAC Name: 4-[1-(furan-2-carbonyl)-2-methyl-5-sulfoindol-3-yl]butanoic acid Traditional Name: 4-[1-(2-furoyl)-2-methyl-5-sulfo-indol-3-yl]butyric acid Formula: C18H17NO7S MolecularWeight: 391.39508

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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)O

Isomeric SMILES

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

InChI

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