bis(phenylmethyl)tin; (E)-3-(4-chlorophenyl)-2-phenyl-prop-2-enoic acid

Systemtic Name: bis(phenylmethyl)tin; (E)-3-(4-chlorophenyl)-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(4-chlorophenyl)-2-phenyl-prop-2-enoic acid; dibenzyltin CAS Name: bis(phenylmethyl)tin; (E)-3-(4-chlorophenyl)-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoic acid; dibenzyltin Traditional Name: (E)-3-(4-chlorophenyl)-2-phenyl-acrylic acid; dibenzyltin Formula: C44H36Cl2O4Sn MolecularWeight: 818.37024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[Sn]CC2=CC=CC=C2.C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C(=O)O.C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[Sn]CC2=CC=CC=C2.C1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)Cl)/C(=O)O.C1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)Cl)/C(=O)O

InChI

InChI=1S/2C15H11ClO2.2C7H7.Sn/c2*16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12;2*1-7-5-3-2-4-6-7;/h2*1-10H,(H,17,18);2*2-6H,1H2;/b2*14-10+;;;