2-heptylphenol; 1,2,3-thiadiazolidine-4,5-dithione

Systemtic Name: 2-heptylphenol; 1,2,3-thiadiazolidine-4,5-dithione Openeye Name: 2-heptylphenol; thiadiazolidine-4,5-dithione CAS Name: 2-heptylphenol; thiadiazolidine-4,5-dithione IUPAC Name: 2-heptylphenol; thiadiazolidine-4,5-dithione Traditional Name: 2-heptylphenol; thiadiazolidine-4,5-dithione Formula: C15H22N2OS3 MolecularWeight: 342.54298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1O.C1(=S)C(=S)SNN1

Isomeric SMILES

CCCCCCCC1=CC=CC=C1O.C1(=S)C(=S)SNN1

InChI

InChI=1S/C13H20O.C2H2N2S3/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14;5-1-2(6)7-4-3-1/h7-8,10-11,14H,2-6,9H2,1H3;4H,(H,3,5)