disodium 1-azanyl-4-[[3-[[4-chloranyl-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[[3-[[4-chloranyl-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-[3-[[4-chloro-6-(2-ethoxyethoxy)-s-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C30H27ClN6Na2O10S2 MolecularWeight: 777.13212

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NC(=NC(=N1)NC2=C(C(=C(C(=C2C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C)Cl.[Na+].[Na+]

Isomeric SMILES

CCOCCOC1=NC(=NC(=N1)NC2=C(C(=C(C(=C2C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C)Cl.[Na+].[Na+]

InChI

InChI=1S/C30H29ClN6O10S2.2Na/c1-5-46-10-11-47-30-36-28(31)35-29(37-30)34-24-13(2)23(14(3)27(15(24)4)49(43,44)45)33-18-12-19(48(40,41)42)22(32)21-20(18)25(38)16-8-6-7-9-17(16)26(21)39;;/h6-9,12,33H,5,10-11,32H2,1-4H3,(H,40,41,42)(H,43,44,45)(H,34,35,36,37);;/q;2*+1/p-2