(4-chloranyl-3-methyl-phenyl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium

Systemtic Name: (4-chloranyl-3-methyl-phenyl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: (4-chloro-3-methyl-phenyl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium CAS Name: (4-chloro-3-methylphenyl)oxonium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; titanium IUPAC Name: (4-chloro-3-methylphenyl)oxidanium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; titanium Traditional Name: (4-chloro-3-methyl-phenyl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium Formula: C34H38Cl2O6Ti+4 MolecularWeight: 661.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[OH2+])Cl.CC1=C(C=CC(=C1)[OH2+])Cl.CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=CC(=[OH+])C1=CC=CC=C1)O.[Ti]

Isomeric SMILES

CC1=C(C=CC(=C1)[OH2+])Cl.CC1=C(C=CC(=C1)[OH2+])Cl.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.[Ti]

InChI

InChI=1S/2C10H10O2.2C7H7ClO.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-5-4-6(9)2-3-7(5)8;/h2*2-7,11H,1H3;2*2-4,9H,1H3;/p+4/b2*8-7-;;;