Sodium 7-Chloro-4-[(3,4-Dichlorophenyl)Carbamoyl]-1,1-Dioxo-2,3-Dihydrobenzo[b]Thiepin-5-Olate Hydrate
[CAS# 73574-69-3]

Identification

• Name: Sodium 7-Chloro-4-[(3,4-Dichlorophenyl)Carbamoyl]-1,1-Dioxo-2,3-Dihydrobenzo[b]Thiepin-5-Olate Hydrate
• Synonyms: Sodium (Z)-(7-Chloro-1,1,5-Trioxo-2,3-Dihydrobenzo[F]Thiepin-4-Ylidene)-[(3,4-Dichlorophenyl)Amino]Methanolate Hydrate; Sodium 7-Chloro-4-[[(3,4-Dichlorophenyl)Amino]-Oxomethyl]-1,1-Dioxo-2,3-Dihydrobenzo[B]Thiepin-5-Olate Hydrate; Sodium (Z)-(7-Chloro-1,1,5-Triketo-2,3-Dihydrobenzo[F]Thiepin-4-Ylidene)-[(3,4-Dichlorophenyl)Amino]Methanolate Hydrate
• Molecular Formula: C₁₇H₁₃Cl₃NNaO₅S
• Molecular Weight: 472.70
• CAS Registry Number: 73574-69-3
• SMILES: C1=C2C(=CC=C1Cl)[S](=O)(=O)CC[C-](C2=O)C(=O)NC3=CC=C(Cl)C(=C3)Cl.[Na+].O
• InChI: 1S/C17H11Cl3NO4S.Na.H2O/c18-9-1-4-15-12(7-9)16(22)11(5-6-26(15,24)25)17(23)21-10-2-3-13(19)14(20)8-10;;/h1-4,7-8H,5-6H2,(H,21,23);;1H2/q-1;+1
• InChIKey: NRDDTIYAJZAKDR-UHFFFAOYSA-N