9,10-bis(oxidanylidene)anthracene-2-sulfonate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium

Systemtic Name: 9,10-bis(oxidanylidene)anthracene-2-sulfonate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Openeye Name: 9,10-dioxoanthracene-2-sulfonate; trimethyl-[6-(trimethylammonio)hexyl]ammonium CAS Name: 9,10-dioxo-2-anthracenesulfonate; trimethyl-[6-(trimethylammonio)hexyl]ammonium IUPAC Name: 9,10-dioxoanthracene-2-sulfonate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Traditional Name: 9,10-diketoanthracene-2-sulfonate; trimethyl-[6-(trimethylammonio)hexyl]ammonium Formula: C40H44N2O10S2 MolecularWeight: 776.91476

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/2C14H8O5S.C12H30N2/c2*15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;1-13(2,3)11-9-7-8-10-12-14(4,5)6/h2*1-7H,(H,17,18,19);7-12H2,1-6H3/q;;+2/p-2