CAS Registry Number®
84196-26-9
CAS Name
Guanidine, N,N′-diphenyl-, compd. with 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)xanthylium (1:1)
Molecular Formula
C27H30N2O7S2.C13H13N3
Other Names and Identifiers
InChI
InChI=1S/C27H30N2O7S2.C13H13N3/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);1-10H,(H3,14,15,16)
InChIKey
InChIKey=OIZTYENDSAALIC-UHFFFAOYSA-N
SMILES
S(=O)(=O)([O-])C1=C(C=2C3=C([O+]=C4C2C=CC(N(CC)CC)=C4)C=C(N(CC)CC)C=C3)C=CC(S(=O)(=O)O)=C1.N(C(NC1=CC=CC=C1)=N)C2=CC=CC=C2
Canonical SMILES
O=S(=O)([O-])C=1C=C(C=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC)S(=O)(=O)O.N=C(NC=1C=CC=CC1)NC=2C=CC=CC2
Other Names for this Substance
- Guanidine, N,N′-diphenyl-, compd. with 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)xanthylium (1:1)
- Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt, compd. with N,N′-diphenylguanidine (1:1)
- Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, compd. with N,N′-diphenylguanidine (1:1)
- Guanidine, N,N′-diphenyl-, compd. with 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)xanthylium inner salt (1:1)
