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

Systemtic Name: 3-chloranyl-2-[[(4Z)-4-hydroxyimino-5-methoxy-3-methoxycarbonyl-2,5-bis(oxidanylidene)pentanoyl]amino]-5-methyl-benzenesulfonic acid Openeye Name: 3-chloro-2-[[(4Z)-4-hydroxyimino-5-methoxy-3-methoxycarbonyl-2,5-dioxo-pentanoyl]amino]-5-methyl-benzenesulfonic acid CAS Name: 3-chloro-2-[[(4Z)-4-hydroxyimino-5-methoxy-3-methoxycarbonyl-1,2,5-trioxopentyl]amino]-5-methylbenzenesulfonic acid IUPAC Name: 3-chloro-2-[[(4Z)-4-hydroxyimino-5-methoxy-3-methoxycarbonyl-2,5-dioxopentanoyl]amino]-5-methylbenzenesulfonic acid Traditional Name: 2-[[(4Z)-3-carbomethoxy-4-hydroximino-2,5-diketo-5-methoxy-pentanoyl]amino]-3-chloro-5-methyl-besylic acid Formula: C15H15ClN2O10S MolecularWeight: 450.805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(=O)C(C(=NO)C(=O)OC)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C(=O)C(/C(=N/O)/C(=O)OC)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C15H15ClN2O10S/c1-6-4-7(16)10(8(5-6)29(24,25)26)17-13(20)12(19)9(14(21)27-2)11(18-23)15(22)28-3/h4-5,9,23H,1-3H3,(H,17,20)(H,24,25,26)/b18-11-