ditert-butyltin(2+); (Z)-2-octylbut-2-enedioate

Systemtic Name: ditert-butyltin(2+); (Z)-2-octylbut-2-enedioate Openeye Name: ditert-butyltin(2+); (Z)-2-octylbut-2-enedioate CAS Name: ditert-butyltin(2+); (Z)-2-octyl-2-butenedioate IUPAC Name: ditert-butyltin(2+); (Z)-2-octylbut-2-enedioate Traditional Name: ditert-butyltin(2+); (Z)-2-octylbut-2-enedioate Formula: C40H72O8Sn2 MolecularWeight: 918.41488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H20O4.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;4*1-4(2)3;;/h2*9H,2-8H2,1H3,(H,13,14)(H,15,16);4*1-3H3;;/q;;;;;;2*+2/p-4/b2*10-9-;;;;;;