(3,4-dimethylbenzene-5-id-1-yl) 4-methylbenzoate; yttrium(3+)

Systemtic Name: (3,4-dimethylbenzene-5-id-1-yl) 4-methylbenzoate; yttrium(3+) Openeye Name: (3,4-dimethylbenzene-5-id-1-yl) 4-methylbenzoate; yttrium(3+) CAS Name: 4-methylbenzoic acid (3,4-dimethyl-1-benzene-5-idyl) ester; yttrium(3+) IUPAC Name: (3,4-dimethylbenzene-5-id-1-yl) 4-methylbenzoate; yttrium(3+) Traditional Name: 4-methylbenzoic acid (3,4-dimethylbenzene-5-id-1-yl) ester; yttrium(3+) Formula: C16H15O2Y+2 MolecularWeight: 328.19495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=C([C-]=C2)C)C.[Y+3]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=C([C-]=C2)C)C.[Y+3]

InChI

InChI=1S/C16H15O2.Y/c1-11-4-7-14(8-5-11)16(17)18-15-9-6-12(2)13(3)10-15;/h4-5,7-10H,1-3H3;/q-1;+3