2-Naphthalenol, 1-[(2-hydroxy-4-nitrophenyl)azo]-, chromium complex

81013-01-6

CAS Name

Chromate(2-), [3-[(5-chloro-2-hydroxyphenyl)azo]-4-hydroxy-6-[(1-oxo-2-propenyl)amino]-2-naphthalenesulfonato(3-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, disodium

Molecular Formula

C₃₅H₂₀ClCrN₆O₁₀S.2Na

Molecular Mass

850.06

Other Names and Identifiers

InChI

InChI=1S/C19H14ClN3O6S.C16H11N3O4.Cr.2Na/c1-2-17(25)21-11-4-3-10-7-16(30(27,28)29)18(19(26)13(10)8-11)23-22-15-9-12(24)5-6-14(15)20;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;;/h2-9,24,26H,1H2,(H,21,25)(H,27,28,29);1-9,20-21H;;;/q;;+3;2*+1/p-5

InChIKey

InChIKey=FJCSGTZLLSSXKU-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C1=C2[N]=3[Cr+3]45([N](C=6C([O-]4)=CC=C7C6C=CC=C7)=NC=8C([O-]5)=CC(N(=O)=O)=CC8)([O-]C2=C9C(=C1)C=CC(NC(C=C)=O)=C9)[O-]C=%10C=C(N3)C(Cl)=CC%10.[Na+]

Canonical SMILES

[Na+].O=C(C=C)NC=1C=CC2=CC(=C3C([O-][Cr+3]456([O-]C7=CC=C(Cl)C(N=[N]34)=C7)[O-]C8=CC=C9C=CC=CC9=C8[N]6=NC%10=CC=C(C=C%10[O-]5)N(=O)=O)=C2C1)S(=O)(=O)[O-]

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

85136-46-5