4-chloranyl-5-methyl-2-[(3-methyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl)carbonylamino]benzenesulfonic acid

Systemtic Name: 4-chloranyl-5-methyl-2-[(3-methyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl)carbonylamino]benzenesulfonic acid Openeye Name: 4-chloro-2-[(7-hydroxy-3-methyl-4-oxo-chromene-2-carbonyl)amino]-5-methyl-benzenesulfonic acid CAS Name: 4-chloro-2-[[(7-hydroxy-3-methyl-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-5-methylbenzenesulfonic acid IUPAC Name: 4-chloro-2-[(7-hydroxy-3-methyl-4-oxochromene-2-carbonyl)amino]-5-methylbenzenesulfonic acid Traditional Name: 4-chloro-2-[(7-hydroxy-4-keto-3-methyl-chromene-2-carbonyl)amino]-5-methyl-besylic acid Formula: C18H14ClNO7S MolecularWeight: 423.82426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=O)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=O)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)C)S(=O)(=O)O

InChI

InChI=1S/C18H14ClNO7S/c1-8-5-15(28(24,25)26)13(7-12(8)19)20-18(23)17-9(2)16(22)11-4-3-10(21)6-14(11)27-17/h3-7,21H,1-2H3,(H,20,23)(H,24,25,26)