Pyridinium, 1-[4-[[3-(acetylamino)-4-[(4,8-disulfo-2-naphthalenyl)azo]phenyl]amino]-6-[[6-[(2-carboxyphenyl)azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-3-carboxy-, chromium complex

CAS Name

Chromate(7-), bis[1-[4-[[3-(acetylamino)-4-[2-(4,8-disulfo-2-naphthalenyl)diazenyl]phenyl]amino]-6-[[6-[2-[2-(carboxy-κO)phenyl]diazenyl-κN¹]-5-(hydroxy-κO)-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-3-carboxypyridiniumato(6-)]-, sodium (1:7)

Molecular Formula

C₈₈H₅₂CrN₂₂O₃₀S₆.7Na

Other Names and Identifiers

InChI

InChI=1S/2C44H31N11O15S3.Cr.7Na/c2*1-22(56)45-34-19-26(12-14-33(34)53-51-27-18-31-29(36(20-27)72(65,66)67)8-4-10-35(31)71(62,63)64)47-43-48-42(49-44(50-43)55-15-5-6-23(21-55)40(58)59)46-25-11-13-28-24(16-25)17-37(73(68,69)70)38(39(28)57)54-52-32-9-3-2-7-30(32)41(60)61;;;;;;;;/h2*2-21H,1H3,(H8-,45,46,47,48,49,50,51,52,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70);;;;;;;;/q;;+3;7*+1/p-10

InChIKey

InChIKey=XOYDCLBEBQQHNL-UHFFFAOYSA-D

SMILES

O=C1[O-][Cr+3]234([N](C=5C([O-]2)=C6C(=CC5S(=O)(=O)[O-])C=C(NC=7N=C(N=C(NC8=CC(NC(C)=O)=C(N=NC9=CC%10=C(C(S(=O)(=O)[O-])=C9)C=CC=C%10S(=O)(=O)[O-])C=C8)N7)[N+]=%11C=C(C([O-])=O)C=CC%11)C=C6)=NC=%12C(C(=O)[O-]3)=CC=CC%12)[N](C=%13C([O-]4)=C%14C(=CC%13S(=O)(=O)[O-])C=C(NC=%15N=C(N=C(NC%16=CC(NC(C)=O)=C(N=NC%17=CC%18=C(C(S(=O)(=O)[O-])=C%17)C=CC=C%18S(=O)(=O)[O-])C=C%16)N%15)[N+]=%19C=C(C([O-])=O)C=CC%19)C=C%14)=NC=%20C1=CC=CC%20.[Na+]

Canonical SMILES

[Na+].O=C([O-])C1=CC=C[N+](=C1)C=2N=C(N=C(N2)NC3=CC=C(N=NC=4C=C5C(C=CC=C5S(=O)(=O)[O-])=C(C4)S(=O)(=O)[O-])C(=C3)NC(=O)C)NC=6C=CC=7C(C6)=CC(=C8C7[O-][Cr+3]9%10%11([O-]C(=O)C=%12C=CC=CC%12N=[N]89)[O-]C(=O)C=%13C=CC=CC%13N=[N]%11C=%14C([O-]%10)=C%15C=CC(=CC%15=CC%14S(=O)(=O)[O-])NC=%16N=C(N=C(N%16)[N+]=%17C=CC=C(C%17)C(=O)[O-])NC%18=CC=C(N=NC=%19C=C%20C(C=CC=C%20S(=O)(=O)[O-])=C(C%19)S(=O)(=O)[O-])C(=C%18)NC(=O)C)S(=O)(=O)[O-]

Other Names for this Substance