4-chloranyl-2-[[5-methoxy-3-methoxycarbonyl-2,4,5-tris(oxidanylidene)pentanoyl]amino]-5-methyl-benzenesulfonic acid

Systemtic Name: 4-chloranyl-2-[[5-methoxy-3-methoxycarbonyl-2,4,5-tris(oxidanylidene)pentanoyl]amino]-5-methyl-benzenesulfonic acid Openeye Name: 4-chloro-2-[(5-methoxy-3-methoxycarbonyl-2,4,5-trioxo-pentanoyl)amino]-5-methyl-benzenesulfonic acid CAS Name: 4-chloro-2-[(5-methoxy-3-methoxycarbonyl-1,2,4,5-tetraoxopentyl)amino]-5-methylbenzenesulfonic acid IUPAC Name: 4-chloro-2-[(5-methoxy-3-methoxycarbonyl-2,4,5-trioxopentanoyl)amino]-5-methylbenzenesulfonic acid Traditional Name: 2-[(3-carbomethoxy-2,4,5-triketo-5-methoxy-pentanoyl)amino]-4-chloro-5-methyl-besylic acid Formula: C15H14ClNO10S MolecularWeight: 435.79036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C15H14ClNO10S/c1-6-4-9(28(23,24)25)8(5-7(6)16)17-13(20)11(18)10(14(21)26-2)12(19)15(22)27-3/h4-5,10H,1-3H3,(H,17,20)(H,23,24,25)