(2-methoxy-6-oxidaniumyl-phenyl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium

Systemtic Name: (2-methoxy-6-oxidaniumyl-phenyl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; (2-methoxy-6-oxonio-phenyl)oxonium; titanium CAS Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; (2-methoxy-6-oxoniophenyl)oxonium; titanium IUPAC Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; (2-methoxy-6-oxoniophenyl)oxidanium; titanium Traditional Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; (2-methoxy-6-oxonio-phenyl)oxonium; titanium Formula: C27H32O7Ti+4 MolecularWeight: 516.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=CC(=[OH+])C1=CC=CC=C1)O.COC1=C(C(=CC=C1)[OH2+])[OH2+].[Ti]

Isomeric SMILES

C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.COC1=C(C(=CC=C1)[OH2+])[OH2+].[Ti]

InChI

InChI=1S/2C10H10O2.C7H8O3.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;1-10-6-4-2-3-5(8)7(6)9;/h2*2-7,11H,1H3;2-4,8-9H,1H3;/p+4/b2*8-7-;;