2-[4-(4-oxaldehydoylphenyl)sulfanylphenyl]-2-oxidanylidene-ethanal dihydrate

Systemtic Name: 2-[4-(4-oxaldehydoylphenyl)sulfanylphenyl]-2-oxidanylidene-ethanal dihydrate Openeye Name: 2-[4-(4-oxaldehydoylphenyl)sulfanylphenyl]-2-oxo-acetaldehyde dihydrate CAS Name: 2-[4-[(4-oxaldehydoylphenyl)thio]phenyl]-2-oxoacetaldehyde dihydrate IUPAC Name: 2-[4-(4-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde dihydrate Traditional Name: 2-[4-[(4-glyoxyloylphenyl)thio]phenyl]-2-keto-acetaldehyde dihydrate Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=O)SC2=CC=C(C=C2)C(=O)C=O.O.O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C=O)SC2=CC=C(C=C2)C(=O)C=O.O.O

InChI

InChI=1S/C16H10O4S.2H2O/c17-9-15(19)11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)16(20)10-18;;/h1-10H;2*1H2