2-Naphthalenesulfonic acid, 6-[(2,3-dibromo-1-oxopropyl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-, chromium complex

CAS Name

Chromate(4-), [6-[(2,3-dibromo-1-oxopropyl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-2-naphthalenesulfonato(3-)][4-[[6-[(2,3-dibromo-1-oxopropyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato(4-)]-, tetrasodium

Molecular Formula

C₄₂H₂₃Br₄CrN₈O₁₉S₃.4Na

Other Names and Identifiers

InChI

InChI=1S/C23H16Br2N4O11S2.C19H14Br2N4O8S.Cr.4Na/c24-9-16(25)23(32)26-11-1-3-13-10(5-11)6-19(42(38,39)40)21(22(13)31)28-27-20-14-4-2-12(29(33)34)7-15(14)18(8-17(20)30)41(35,36)37;20-8-13(21)19(28)22-10-2-1-9-5-16(34(31,32)33)17(18(27)12(9)6-10)24-23-14-7-11(25(29)30)3-4-15(14)26;;;;;/h1-8,16,30-31H,9H2,(H,26,32)(H,35,36,37)(H,38,39,40);1-7,13,26-27H,8H2,(H,22,28)(H,31,32,33);;;;;/q;;+3;4*+1/p-7

InChIKey

InChIKey=ZCCFGPRJZCOZOO-UHFFFAOYSA-G

SMILES

S(=O)(=O)([O-])C1=C2[N]=3[Cr+3]45([N](C=6C([O-]4)=CC(S(=O)(=O)[O-])=C7C6C=CC(N(=O)=O)=C7)=NC=8C([O-]5)=C9C(=CC8S(=O)(=O)[O-])C=C(NC(C(CBr)Br)=O)C=C9)([O-]C2=C%10C(=C1)C=CC(NC(C(CBr)Br)=O)=C%10)[O-]C=%11C(N3)=CC(N(=O)=O)=CC%11.[Na+]

Canonical SMILES

[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C3N=[N]4C=5C([O-][Cr+3]674([O-]C8=CC=C(C=C8N=[N]7C=9C([O-]6)=C%10C=C(C=CC%10=CC9S(=O)(=O)[O-])NC(=O)C(Br)CBr)N(=O)=O)[O-]C32)=CC(=C%11C=C(C=CC%115)N(=O)=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C(Br)CBr

Other Names for this Substance