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

Systemtic Name: octadecanoyloxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; octadecanoyloxonium; titanium CAS Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; 1-oxooctadecyloxonium; titanium IUPAC Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; octadecanoyloxidanium; titanium Traditional Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; stearoyloxonium; titanium Formula: C56H96O8Ti+4 MolecularWeight: 945.22364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2.2C10H10O2.Ti/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*2-17H2,1H3,(H,19,20);2*2-7,11H,1H3;/p+4/b;;2*8-7-;