ethyloxidanium; (9-oxidaniumylidene-4-oxidanyl-10-oxidanylidene-anthracen-1-yl)oxidanium; titanium

Systemtic Name: ethyloxidanium; (9-oxidaniumylidene-4-oxidanyl-10-oxidanylidene-anthracen-1-yl)oxidanium; titanium Openeye Name: ethyloxonium; (4-hydroxy-10-oxo-1-oxonio-9-anthrylidene)oxonium; titanium CAS Name: ethyloxonium; (4-hydroxy-10-oxo-1-oxonio-9-anthracenylidene)oxonium; titanium IUPAC Name: ethyloxidanium; (4-hydroxy-10-oxo-1-oxonioanthracen-9-ylidene)oxidanium; titanium Traditional Name: ethyloxonium; (4-hydroxy-10-keto-1-oxonio-9-anthrylidene)oxonium; titanium Formula: C32H34O10Ti+6 MolecularWeight: 626.47336

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC[OH2+].C1=CC=C2C(=C1)C(=[OH+])C3=C(C=CC(=C3C2=O)O)[OH2+].C1=CC=C2C(=C1)C(=[OH+])C3=C(C=CC(=C3C2=O)O)[OH2+].[Ti]

Isomeric SMILES

CC[OH2+].CC[OH2+].C1=CC=C2C(=C1)C(=[OH+])C3=C(C=CC(=C3C2=O)O)[OH2+].C1=CC=C2C(=C1)C(=[OH+])C3=C(C=CC(=C3C2=O)O)[OH2+].[Ti]

InChI

InChI=1S/2C14H8O4.2C2H6O.Ti/c2*15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18;2*1-2-3;/h2*1-6,15-16H;2*3H,2H2,1H3;/p+6