6-methyl-6-sulfanyl-cyclohexa-2,4-diene-1-carboxylate; propyltin(3+)

Systemtic Name: 6-methyl-6-sulfanyl-cyclohexa-2,4-diene-1-carboxylate; propyltin(3+) Openeye Name: 6-methyl-6-sulfanyl-cyclohexa-2,4-diene-1-carboxylate; propyltin(3+) CAS Name: 6-mercapto-6-methyl-1-cyclohexa-2,4-dienecarboxylate; propyltin(3+) IUPAC Name: 6-methyl-6-sulfanylcyclohexa-2,4-diene-1-carboxylate; propyltin(3+) Traditional Name: 6-mercapto-6-methyl-cyclohexa-2,4-diene-1-carboxylate; propyltin(3+) Formula: C27H34O6S3Sn MolecularWeight: 669.46026

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Descriptors Computed from Structure

Canonical SMILES:

CCC[Sn+3].CC1(C=CC=CC1C(=O)[O-])S.CC1(C=CC=CC1C(=O)[O-])S.CC1(C=CC=CC1C(=O)[O-])S

Isomeric SMILES

CCC[Sn+3].CC1(C=CC=CC1C(=O)[O-])S.CC1(C=CC=CC1C(=O)[O-])S.CC1(C=CC=CC1C(=O)[O-])S

InChI

InChI=1S/3C8H10O2S.C3H7.Sn/c3*1-8(11)5-3-2-4-6(8)7(9)10;1-3-2;/h3*2-6,11H,1H3,(H,9,10);1,3H2,2H3;/q;;;;+3/p-3