[(Z)-1-(3,4-dimethoxyphenyl)-3-oxidanyl-but-2-enylidene]oxidanium; ethyloxidanium; titanium

Systemtic Name: [(Z)-1-(3,4-dimethoxyphenyl)-3-oxidanyl-but-2-enylidene]oxidanium; ethyloxidanium; titanium Openeye Name: [(Z)-1-(3,4-dimethoxyphenyl)-3-hydroxy-but-2-enylidene]oxonium; ethyloxonium; titanium CAS Name: [(Z)-1-(3,4-dimethoxyphenyl)-3-hydroxybut-2-enylidene]oxonium; ethyloxonium; titanium IUPAC Name: [(Z)-1-(3,4-dimethoxyphenyl)-3-hydroxybut-2-enylidene]oxidanium; ethyloxidanium; titanium Traditional Name: [(Z)-1-(3,4-dimethoxyphenyl)-3-hydroxy-but-2-enylidene]oxonium; ethyloxonium; titanium Formula: C28H44O10Ti+4 MolecularWeight: 588.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC[OH2+].CC(=CC(=[OH+])C1=CC(=C(C=C1)OC)OC)O.CC(=CC(=[OH+])C1=CC(=C(C=C1)OC)OC)O.[Ti]

Isomeric SMILES

CC[OH2+].CC[OH2+].C/C(=C/C(=[OH+])C1=CC(=C(C=C1)OC)OC)/O.C/C(=C/C(=[OH+])C1=CC(=C(C=C1)OC)OC)/O.[Ti]

InChI

InChI=1S/2C12H14O4.2C2H6O.Ti/c2*1-8(13)6-10(14)9-4-5-11(15-2)12(7-9)16-3;2*1-2-3;/h2*4-7,13H,1-3H3;2*3H,2H2,1H3;/p+4/b2*8-6-;;;