calcium 4-[(2Z)-2-(2-acetamido-5-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methylsulfonyl-benzenesulfonic acid

Systemtic Name: calcium 4-[(2Z)-2-(2-acetamido-5-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methylsulfonyl-benzenesulfonic acid Openeye Name: calcium 4-[(2Z)-2-(2-acetamido-5-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-methylsulfonyl-benzenesulfonic acid CAS Name: calcium 4-[(2Z)-2-(2-acetamido-5-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-3-methylsulfonylbenzenesulfonic acid IUPAC Name: calcium 4-[(2Z)-2-(2-acetamido-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methylsulfonylbenzenesulfonic acid Traditional Name: calcium 4-[(N'Z)-N'-(2-acetamido-5-chloro-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-mesyl-besylic acid Formula: C15H14CaClN3O7S2+2 MolecularWeight: 487.94856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=O)C(=CC1=NNC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)C)Cl.[Ca+2]

Isomeric SMILES

CC(=O)NC\1=CC(=O)C(=C/C1=N/NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)C)Cl.[Ca+2]

InChI

InChI=1S/C15H14ClN3O7S2.Ca/c1-8(20)17-12-7-14(21)10(16)6-13(12)19-18-11-4-3-9(28(24,25)26)5-15(11)27(2,22)23;/h3-7,18H,1-2H3,(H,17,20)(H,24,25,26);/q;+2/b19-13-;