dihexyltin(2+); (Z)-2-(phenylmethyl)but-2-enedioate

Systemtic Name: dihexyltin(2+); (Z)-2-(phenylmethyl)but-2-enedioate Openeye Name: (Z)-2-benzylbut-2-enedioate; dihexyltin(2+) CAS Name: dihexyltin(2+); (Z)-2-(phenylmethyl)-2-butenedioate IUPAC Name: (Z)-2-benzylbut-2-enedioate; dihexyltin(2+) Traditional Name: (Z)-2-benzylbut-2-enedioate; dihexyltin(2+) Formula: C34H42O8Sn-2 MolecularWeight: 697.40248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[Sn+2]CCCCCC.C1=CC=C(C=C1)CC(=CC(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)CC(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCC[Sn+2]CCCCCC.C1=CC=C(C=C1)C/C(=C/C(=O)[O-])/C(=O)[O-].C1=CC=C(C=C1)C/C(=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/2C11H10O4.2C6H13.Sn/c2*12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8;2*1-3-5-6-4-2;/h2*1-5,7H,6H2,(H,12,13)(H,14,15);2*1,3-6H2,2H3;/q;;;;+2/p-4/b2*9-7-;;;