didecyl(dimethyl)azanium; 2-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)benzoate

Systemtic Name: didecyl(dimethyl)azanium; 2-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)benzoate Openeye Name: didecyl(dimethyl)ammonium; 2-(3-oxido-6-oxo-xanthen-9-yl)benzoate CAS Name: didecyl(dimethyl)ammonium; 2-(3-oxido-6-oxo-9-xanthenyl)benzoate IUPAC Name: didecyl(dimethyl)azanium; 2-(3-oxido-6-oxoxanthen-9-yl)benzoate Traditional Name: didecyl(dimethyl)ammonium; 2-(3-keto-6-oxido-xanthen-9-yl)benzoate Formula: C64H106N2O5 MolecularWeight: 983.53684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)[O-])C(=O)[O-]

InChI

InChI=1S/2C22H48N.C20H12O5/c2*1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h2*5-22H2,1-4H3;1-10,21H,(H,23,24)/q2*+1;/p-2