[2,4-bis(fluoranyl)benzene-6-id-1-yl] ethanoate; 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+)

Systemtic Name: [2,4-bis(fluoranyl)benzene-6-id-1-yl] ethanoate; 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+) Openeye Name: (2,4-difluorobenzene-6-id-1-yl) acetate; 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+) CAS Name: acetic acid (2,4-difluoro-1-benzene-6-idyl) ester; 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+) IUPAC Name: (2,4-difluorobenzene-6-id-1-yl) acetate; 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+) Traditional Name: acetic acid (2,4-difluorobenzene-6-id-1-yl) ester; 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+) Formula: C34H32F4O4Ti MolecularWeight: 628.476093

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=[C-]1)F)F.CC(=O)OC1=C(C=C(C=[C-]1)F)F.C1CCC2=CC=C[C-]2C1.C1CCC2=CC=C[C-]2C1.[Ti+4]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=[C-]1)F)F.CC(=O)OC1=C(C=C(C=[C-]1)F)F.C1CCC2=CC=C[C-]2C1.C1CCC2=CC=C[C-]2C1.[Ti+4]

InChI

InChI=1S/2C9H11.2C8H5F2O2.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-5(11)12-8-3-2-6(9)4-7(8)10;/h2*3,6-7H,1-2,4-5H2;2*2,4H,1H3;/q4*-1;+4