3-(1,3,3-trimethyl-2-oxidanylidene-indol-5-yl)sulfonylpropanoic acid

Systemtic Name: 3-(1,3,3-trimethyl-2-oxidanylidene-indol-5-yl)sulfonylpropanoic acid Openeye Name: 3-(1,3,3-trimethyl-2-oxo-indolin-5-yl)sulfonylpropanoic acid CAS Name: 3-[(1,3,3-trimethyl-2-oxo-5-indolyl)sulfonyl]propanoic acid IUPAC Name: 3-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpropanoic acid Traditional Name: 3-(2-keto-1,3,3-trimethyl-indolin-5-yl)sulfonylpropionic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)CCC(=O)O)N(C1=O)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)CCC(=O)O)N(C1=O)C)C

InChI

InChI=1S/C14H17NO5S/c1-14(2)10-8-9(21(19,20)7-6-12(16)17)4-5-11(10)15(3)13(14)18/h4-5,8H,6-7H2,1-3H3,(H,16,17)