Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, bis[2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]chromate(3-) (3:1)

72986-48-2

CAS Name

Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, bis[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN¹]benzenesulfonato(3-)]chromate(3-) (3:1)

Molecular Formula

C₃₂H₂₂CrN₈O₁₆S₂.3C₂₈H₃₁N₂O₃

Molecular Mass

2221.37

Other Names and Identifiers

InChI

InChI=1S/C28H31N2O3.2C16H13N4O8S.Cr/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2*1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h9-16,29-30H,6-8H2,1-5H3;2*2-8,22H,1H3,(H,17,23)(H,26,27,28);/q+1;2*-1;+3/p-4

InChIKey

InChIKey=KAUCUCNEIYFOJM-UHFFFAOYSA-J

Canonical SMILES

O=C(OCC)C=1C=CC=CC1C=2C=3C=C(C(=CC3[O+]=C4C=C(NCC)C(=CC42)C)NCC)C.O=C(NC=1C=CC=CC1)[C-]2N=[N]3C=4C=C(C=C(C4[O-][Cr+3]563(O=C2C)O=C([C-](N=[N]6C=7C=C(C=C(C7[O-]5)S(=O)(=O)[O-])N(=O)=O)C(=O)NC=8C=CC=CC8)C)S(=O)(=O)[O-])N(=O)=O

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

102783-15-3