4-[[4-[4,5-bis(oxidanyl)-2-sulfanyl-thian-3-yl]oxyphenyl]-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4,5-bis(oxidanyl)-2-sulfanyl-thian-3-yl]oxyphenyl]-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,5-dihydroxy-2-sulfanyl-tetrahydrothiopyran-3-yl)oxyphenyl]-hydroxy-methyl]benzonitrile CAS Name: 4-[[4-[(4,5-dihydroxy-2-mercapto-3-thianyl)oxy]phenyl]-hydroxymethyl]benzonitrile IUPAC Name: 4-[[4-(4,5-dihydroxy-2-sulfanylthian-3-yl)oxyphenyl]-hydroxymethyl]benzonitrile Traditional Name: 4-[[4-(4,5-dihydroxy-2-mercapto-tetrahydrothiopyran-3-yl)oxyphenyl]-hydroxy-methyl]benzonitrile Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)S)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)C#N)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)S)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)C#N)O)O)O

InChI

InChI=1S/C19H19NO4S2/c20-9-11-1-3-12(4-2-11)16(22)13-5-7-14(8-6-13)24-18-17(23)15(21)10-26-19(18)25/h1-8,15-19,21-23,25H,10H2