5-[3,5-bis[bis(oxidanyl)methyl]phenyl]sulfanyl-2-methyl-benzene-1,3-dicarbonitrile

Systemtic Name: 5-[3,5-bis[bis(oxidanyl)methyl]phenyl]sulfanyl-2-methyl-benzene-1,3-dicarbonitrile Openeye Name: 5-[3,5-bis(dihydroxymethyl)phenyl]sulfanyl-2-methyl-benzene-1,3-dicarbonitrile CAS Name: 5-[[3,5-bis(dihydroxymethyl)phenyl]thio]-2-methylbenzene-1,3-dicarbonitrile IUPAC Name: 5-[3,5-bis(dihydroxymethyl)phenyl]sulfanyl-2-methylbenzene-1,3-dicarbonitrile Traditional Name: 5-[[3,5-bis(dihydroxymethyl)phenyl]thio]-2-methyl-isophthalonitrile Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C#N)SC2=CC(=CC(=C2)C(O)O)C(O)O)C#N

Isomeric SMILES

CC1=C(C=C(C=C1C#N)SC2=CC(=CC(=C2)C(O)O)C(O)O)C#N

InChI

InChI=1S/C17H14N2O4S/c1-9-12(7-18)5-15(6-13(9)8-19)24-14-3-10(16(20)21)2-11(4-14)17(22)23/h2-6,16-17,20-23H,1H3