CAS Registry Number®
85392-61-6
CAS Name
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, [8-[(5-chloro-2-hydroxyphenyl)azo]-7-hydroxy-1,3-naphthalenedisulfonato(4-)]chromate(1-)
Molecular Formula
C28H31N2O3.C16H7ClCrN2O8S2
Other Names and Identifiers
InChI
InChI=1S/C28H30N2O3.C16H11ClN2O8S2.Cr/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;17-9-2-4-12(20)11(6-9)18-19-16-13(21)3-1-8-5-10(28(22,23)24)7-14(15(8)16)29(25,26)27;/h9-18H,5-8H2,1-4H3;1-7,20-21H,(H,22,23,24)(H,25,26,27);/q;;+3/p-3
InChIKey
InChIKey=XLRMKPNWEYQKQA-UHFFFAOYSA-K
SMILES
S(=O)(=O)([O-])C1=C2C=3[N]=4[Cr+3]([O-]C3C=CC2=CC(S(=O)(=O)[O-])=C1)[O-]C=5C(N4)=CC(Cl)=CC5.C(O)(=O)C1=C(C=2C3=C([O+]=C4C2C=CC(N(CC)CC)=C4)C=C(N(CC)CC)C=C3)C=CC=C1
Canonical SMILES
O=C(O)C=1C=CC=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC.O=S(=O)([O-])C1=CC2=CC=C3[O-][Cr+3]4[O-]C5=CC=C(Cl)C=C5N=[N]4C3=C2C(=C1)S(=O)(=O)[O-]
Other Names for this Substance
- Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, [8-[(5-chloro-2-hydroxyphenyl)azo]-7-hydroxy-1,3-naphthalenedisulfonato(4-)]chromate(1-)
- Chromate(1-), [8-[(5-chloro-2-hydroxyphenyl)azo]-7-hydroxy-1,3-naphthalenedisulfonato(4-)]-, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium
- 1,3-Naphthalenedisulfonic acid, 8-[(5-chloro-2-hydroxyphenyl)azo]-7-hydroxy-, chromium complex
- Xanthylium, xanthylium deriv.
