ethane; methylsulfanylmethane; (phenylmethyl)benzene; thiophosphate

Systemtic Name: ethane; methylsulfanylmethane; (phenylmethyl)benzene; thiophosphate Openeye Name: benzylbenzene; ethane; methylsulfanylmethane; thiophosphate CAS Name: ethane; (methylthio)methane; (phenylmethyl)benzene; thiophosphate IUPAC Name: benzylbenzene; ethane; methylsulfanylmethane; thiophosphate Traditional Name: benzylbenzene; ethane; (methylthio)methane; thiophosphate Formula: C17H24O3PS2-3 MolecularWeight: 371.474421

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Descriptors Computed from Structure

Canonical SMILES:

CC.CSC.C1=CC=C(C=C1)CC2=CC=CC=C2.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CSC.C1=CC=C(C=C1)CC2=CC=CC=C2.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C13H12.C2H6S.C2H6.H3O3PS/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-2;1-2;1-4(2,3)5/h1-10H,11H2;1-2H3;1-2H3;(H3,1,2,3,5)/p-3