3-ethoxycarbonylbenzenethiolate; octyltin(3+)

Systemtic Name: 3-ethoxycarbonylbenzenethiolate; octyltin(3+) Openeye Name: 3-ethoxycarbonylbenzenethiolate; octyltin(3+) CAS Name: 3-ethoxycarbonylbenzenethiolate; octyltin(3+) IUPAC Name: 3-ethoxycarbonylbenzenethiolate; octyltin(3+) Traditional Name: 3-carbethoxybenzenethiolate; octyltin(3+) Formula: C35H44O6S3Sn MolecularWeight: 775.62526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+3].CCOC(=O)C1=CC(=CC=C1)[S-].CCOC(=O)C1=CC(=CC=C1)[S-].CCOC(=O)C1=CC(=CC=C1)[S-]

Isomeric SMILES

CCCCCCCC[Sn+3].CCOC(=O)C1=CC(=CC=C1)[S-].CCOC(=O)C1=CC(=CC=C1)[S-].CCOC(=O)C1=CC(=CC=C1)[S-]

InChI

InChI=1S/3C9H10O2S.C8H17.Sn/c3*1-2-11-9(10)7-4-3-5-8(12)6-7;1-3-5-7-8-6-4-2;/h3*3-6,12H,2H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3