7-methyl-1-(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)octan-1-olate; octyltin(3+)

Systemtic Name: 7-methyl-1-(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)octan-1-olate; octyltin(3+) Openeye Name: 7-methyl-1-(4-thioxocyclohexa-2,5-dien-1-ylidene)octan-1-olate; octyltin(3+) CAS Name: 7-methyl-1-(4-sulfanylidene-1-cyclohexa-2,5-dienylidene)-1-octanolate; octyltin(3+) IUPAC Name: 7-methyl-1-(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)octan-1-olate; octyltin(3+) Traditional Name: 7-methyl-1-(4-thioxocyclohexa-2,5-dien-1-ylidene)octan-1-olate; octyltin(3+) Formula: C53H80O3S3Sn MolecularWeight: 980.1055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+3].CC(C)CCCCCC(=C1C=CC(=S)C=C1)[O-].CC(C)CCCCCC(=C1C=CC(=S)C=C1)[O-].CC(C)CCCCCC(=C1C=CC(=S)C=C1)[O-]

Isomeric SMILES

CCCCCCCC[Sn+3].CC(C)CCCCCC(=C1C=CC(=S)C=C1)[O-].CC(C)CCCCCC(=C1C=CC(=S)C=C1)[O-].CC(C)CCCCCC(=C1C=CC(=S)C=C1)[O-]

InChI

InChI=1S/3C15H22OS.C8H17.Sn/c3*1-12(2)6-4-3-5-7-15(16)13-8-10-14(17)11-9-13;1-3-5-7-8-6-4-2;/h3*8-12,16H,3-7H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3