1-chloranyl-4-(phenylmethyl)benzene; ethane; propane; thiophosphate

Systemtic Name: 1-chloranyl-4-(phenylmethyl)benzene; ethane; propane; thiophosphate Openeye Name: 1-benzyl-4-chloro-benzene; ethane; propane; thiophosphate CAS Name: 1-chloro-4-(phenylmethyl)benzene; ethane; propane; thiophosphate IUPAC Name: 1-benzyl-4-chlorobenzene; ethane; propane; thiophosphate Traditional Name: 1-benzyl-4-chloro-benzene; ethane; n-propane; thiophosphate Formula: C18H25ClO3PS-3 MolecularWeight: 387.881061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl.C3H8.C2H6.H3O3PS/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;1-3-2;1-2;1-4(2,3)5/h1-9H,10H2;3H2,1-2H3;1-2H3;(H3,1,2,3,5)/p-3