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

Systemtic Name: 4-chloranyl-5-methyl-2-[[2-oxidanylidene-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoyl]amino]benzenesulfonic acid Openeye Name: 4-chloro-2-[[3-(7-hydroxy-2-oxo-chromen-4-yl)-2-oxo-propanoyl]amino]-5-methyl-benzenesulfonic acid CAS Name: 4-chloro-2-[[3-(7-hydroxy-2-oxo-1-benzopyran-4-yl)-1,2-dioxopropyl]amino]-5-methylbenzenesulfonic acid IUPAC Name: 4-chloro-2-[[3-(7-hydroxy-2-oxochromen-4-yl)-2-oxopropanoyl]amino]-5-methylbenzenesulfonic acid Traditional Name: 4-chloro-2-[[3-(7-hydroxy-2-keto-chromen-4-yl)-2-keto-propanoyl]amino]-5-methyl-besylic acid Formula: C19H14ClNO8S MolecularWeight: 451.83436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=O)C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=O)C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)O

InChI

InChI=1S/C19H14ClNO8S/c1-9-4-17(30(26,27)28)14(8-13(9)20)21-19(25)15(23)5-10-6-18(24)29-16-7-11(22)2-3-12(10)16/h2-4,6-8,22H,5H2,1H3,(H,21,25)(H,26,27,28)