5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfino-phenyl)ethyl]benzenesulfinic acid

Systemtic Name: 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfino-phenyl)ethyl]benzenesulfinic acid Openeye Name: 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfino-phenyl)ethyl]benzenesulfinic acid CAS Name: 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfinophenyl)ethyl]benzenesulfinic acid IUPAC Name: 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfinophenyl)ethyl]benzenesulfinic acid Traditional Name: 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfino-phenyl)ethyl]benzenesulfinic acid Formula: C16H12N2O4S4 MolecularWeight: 424.53748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C=S)S(=O)O)CCC2=C(C=C(C=C2)N=C=S)S(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=C=S)S(=O)O)CCC2=C(C=C(C=C2)N=C=S)S(=O)O

InChI

InChI=1S/C16H12N2O4S4/c19-25(20)15-7-13(17-9-23)5-3-11(15)1-2-12-4-6-14(18-10-24)8-16(12)26(21)22/h3-8H,1-2H2,(H,19,20)(H,21,22)