(4E)-4-[1-(4-hydroxyphenyl)propan-2-ylidene]cyclohexa-1,5-dien-1-olate; pentane-2,4-dione; titanium(2+)

Systemtic Name: (4E)-4-[1-(4-hydroxyphenyl)propan-2-ylidene]cyclohexa-1,5-dien-1-olate; pentane-2,4-dione; titanium(2+) Openeye Name: (4E)-4-[2-(4-hydroxyphenyl)-1-methyl-ethylidene]cyclohexa-1,5-dien-1-olate; pentane-2,4-dione; titanium(2+) CAS Name: (4E)-4-[1-(4-hydroxyphenyl)propan-2-ylidene]-1-cyclohexa-1,5-dienolate; pentane-2,4-dione; titanium(2+) IUPAC Name: (4E)-4-[1-(4-hydroxyphenyl)propan-2-ylidene]cyclohexa-1,5-dien-1-olate; pentane-2,4-dione; titanium(2+) Traditional Name: (4E)-4-[2-(4-hydroxyphenyl)-1-methyl-ethylidene]cyclohexa-1,5-dien-1-olate; pentane-2,4-dione; titanium(2+) Formula: C50H62O12Ti MolecularWeight: 902.88708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CC=C(C=C1)[O-])CC2=CC=C(C=C2)O.CC(=C1CC=C(C=C1)[O-])CC2=CC=C(C=C2)O.CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)CC(=O)C.[Ti+2]

Isomeric SMILES

C/C(=C/1\C=CC(=CC1)[O-])/CC2=CC=C(C=C2)O.C/C(=C/1\C=CC(=CC1)[O-])/CC2=CC=C(C=C2)O.CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)CC(=O)C.[Ti+2]

InChI

InChI=1S/2C15H16O2.4C5H8O2.Ti/c2*1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12;4*1-4(6)3-5(2)7;/h2*2-4,6-9,16-17H,5,10H2,1H3;4*3H2,1-2H3;/q;;;;;;+2/p-2/b2*13-11-;;;;;