2-isothiocyanato-4-(3-isothiocyanato-4-propoxy-phenyl)sulfonyl-1-propoxy-benzene

Systemtic Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxy-phenyl)sulfonyl-1-propoxy-benzene Openeye Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxy-phenyl)sulfonyl-1-propoxy-benzene CAS Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxyphenyl)sulfonyl-1-propoxybenzene IUPAC Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxyphenyl)sulfonyl-1-propoxybenzene Traditional Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxy-phenyl)sulfonyl-1-propoxy-benzene Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCCC)N=C=S)N=C=S

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCCC)N=C=S)N=C=S

InChI

InChI=1S/C20H20N2O4S3/c1-3-9-25-19-7-5-15(11-17(19)21-13-27)29(23,24)16-6-8-20(26-10-4-2)18(12-16)22-14-28/h5-8,11-12H,3-4,9-10H2,1-2H3