(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate; dioctyltin(2+)

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate; dioctyltin(2+) Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate; dioctyltin(2+) CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoate; dioctyltin(2+) IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate; dioctyltin(2+) Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylate; dioctyltin(2+) Formula: C36H48O8Sn MolecularWeight: 727.47152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.C1OC2=C(O1)C=C(C=C2)C=CC(=O)[O-].C1OC2=C(O1)C=C(C=C2)C=CC(=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+2]CCCCCCCC.C1OC2=C(O1)C=CC(=C2)/C=C/C(=O)[O-].C1OC2=C(O1)C=CC(=C2)/C=C/C(=O)[O-]

InChI

InChI=1S/2C10H8O4.2C8H17.Sn/c2*11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8;2*1-3-5-7-8-6-4-2;/h2*1-5H,6H2,(H,11,12);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*4-2+;;;