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

Systemtic Name: dioctyltin(2+); (Z)-2-(phenylmethyl)but-2-enedioate Openeye Name: (Z)-2-benzylbut-2-enedioate; dioctyltin(2+) CAS Name: dioctyltin(2+); (Z)-2-(phenylmethyl)-2-butenedioate IUPAC Name: (Z)-2-benzylbut-2-enedioate; dioctyltin(2+) Traditional Name: (Z)-2-benzylbut-2-enedioate; dioctyltin(2+) Formula: C54H84O8Sn2 MolecularWeight: 1098.65996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC.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

CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC.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/2C11H10O4.4C8H17.2Sn/c2*12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8;4*1-3-5-7-8-6-4-2;;/h2*1-5,7H,6H2,(H,12,13)(H,14,15);4*1,3-8H2,2H3;;/q;;;;;;2*+2/p-4/b2*9-7-;;;;;;