dioctyltin(2+); (Z)-2-ethylhexoxy-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: dioctyltin(2+); (Z)-2-ethylhexoxy-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: dioctyltin(2+); (Z)-2-ethylhexoxy-(6-thioxocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: dioctyltin(2+); (Z)-2-ethylhexoxy-(6-sulfanylidene-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: dioctyltin(2+); (Z)-2-ethylhexoxy-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: dioctyltin(2+); (Z)-2-ethylhexoxy-(6-thioxocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C46H76O4S2Sn MolecularWeight: 875.93324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(CC)COC(=C1C=CC=CC1=S)[O-].CCCCC(CC)COC(=C1C=CC=CC1=S)[O-]

Isomeric SMILES

CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(CO/C(=C/1\C(=S)C=CC=C1)/[O-])CC.CCCCC(CO/C(=C/1\C(=S)C=CC=C1)/[O-])CC

InChI

InChI=1S/2C15H22O2S.2C8H17.Sn/c2*1-3-5-8-12(4-2)11-17-15(16)13-9-6-7-10-14(13)18;2*1-3-5-7-8-6-4-2;/h2*6-7,9-10,12,16H,3-5,8,11H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*15-13-;;;