ethyloxidanium; (5-sulfoquinolin-8-yl)oxidanium; titanium

Systemtic Name: ethyloxidanium; (5-sulfoquinolin-8-yl)oxidanium; titanium Openeye Name: ethyloxonium; (5-sulfo-8-quinolyl)oxonium; titanium CAS Name: ethyloxonium; (5-sulfo-8-quinolinyl)oxonium; titanium IUPAC Name: ethyloxidanium; (5-sulfoquinolin-8-yl)oxidanium; titanium Traditional Name: ethyloxonium; (5-sulfo-8-quinolyl)oxonium; titanium Formula: C22H30N2O10S2Ti+4 MolecularWeight: 594.478

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC[OH2+].C1=CC2=C(C=CC(=C2N=C1)[OH2+])S(=[OH+])(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[OH2+])S(=[OH+])(=O)[O-].[Ti]

Isomeric SMILES

CC[OH2+].CC[OH2+].C1=CC2=C(C=CC(=C2N=C1)[OH2+])S(=[OH+])(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[OH2+])S(=[OH+])(=O)[O-].[Ti]

InChI

InChI=1S/2C9H7NO4S.2C2H6O.Ti/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;2*1-2-3;/h2*1-5,11H,(H,12,13,14);2*3H,2H2,1H3;/p+4