2-[[8-[3-[3-[(2-Chloroethyl)Sulfonyl]-Phenyl]Ureido]-1-Hydroxy-3,6-Disulfo-2-Naphtyl]Azo]-1,5-Naphthalenedisulfonic Acid
[CAS# 6758-66-3]

Identification

• Name: 2-[[8-[3-[3-[(2-Chloroethyl)Sulfonyl]-Phenyl]Ureido]-1-Hydroxy-3,6-Disulfo-2-Naphtyl]Azo]-1,5-Naphthalenedisulfonic Acid
• Synonyms: (3Z)-5-[[3-(2-Chloroethylsulfonyl)Phenyl]Carbamoylamino]-3-[(1,5-Disulfo-2-Naphthyl)Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonic Acid; (3Z)-5-[[[[3-(2-Chloroethylsulfonyl)Phenyl]Amino]-Oxomethyl]Amino]-3-[(1,5-Disulfo-2-Naphthyl)Hydrazono]-4-Oxonaphthalene-2,7-Disulfonic Acid; (3Z)-5-[[3-(2-Chloroethylsulfonyl)Phenyl]Carbamoylamino]-3-[(1,5-Disulfo-2-Naphthyl)Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₂₉H₂₃ClN₄O₁₆S₅
• Molecular Weight: 879.27
• CAS Registry Number: 6758-66-3
• SMILES: C2=C([S](O)(=O)=O)C=C(NC(=O)NC1=CC(=CC=C1)[S](=O)(=O)CCCl)C5=C2C=C([S](O)(=O)=O)\C(=N/NC4=C([S](O)(=O)=O)C3=C(C(=CC=C3)[S](O)(=O)=O)C=C4)C5=O
• InChI: 1S/C29H23ClN4O16S5/c30-9-10-51(37,38)17-4-1-3-16(13-17)31-29(36)32-22-14-18(52(39,40)41)11-15-12-24(54(45,46)47)26(27(35)25(15)22)34-33-21-8-7-19-20(28(21)55(48,49)50)5-2-6-23(19)53(42,43)44/h1-8,11-14,33H,9-10H2,(H2,31,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/b34-26+
• InChIKey: SKSBBRMANIIFBA-JJNGWGCYSA-N

Properties

• Density: 1.878g/cm³ (Cal.)