3-(4-methylphenyl)carbonyl-2H-1-benzothiophen-2-id-6-one; yttrium(3+)

Systemtic Name: 3-(4-methylphenyl)carbonyl-2H-1-benzothiophen-2-id-6-one; yttrium(3+) Openeye Name: 3-(4-methylbenzoyl)-2H-benzothiophen-2-id-6-one; yttrium(3+) CAS Name: 3-[(4-methylphenyl)-oxomethyl]-2H-1-benzothiophen-2-id-6-one; yttrium(3+) IUPAC Name: 3-(4-methylbenzoyl)-2H-1-benzothiophen-2-id-6-one; yttrium(3+) Traditional Name: 3-p-toluoyl-2H-benzothiophen-2-id-6-one; yttrium(3+) Formula: C16H11O2SY+2 MolecularWeight: 356.22819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=O)C=C3S[CH-]2.[Y+3]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=O)C=C3S[CH-]2.[Y+3]

InChI

InChI=1S/C16H11O2S.Y/c1-10-2-4-11(5-3-10)16(18)14-9-19-15-8-12(17)6-7-13(14)15;/h2-9H,1H3;/q-1;+3