methyl 3-[[3-[(3-ethynyl-5-methanoyl-phenoxy)methyl]phenyl]methyldisulfanyl]propanoate

Systemtic Name: methyl 3-[[3-[(3-ethynyl-5-methanoyl-phenoxy)methyl]phenyl]methyldisulfanyl]propanoate Openeye Name: methyl 3-[[3-[(3-ethynyl-5-formyl-phenoxy)methyl]phenyl]methyldisulfanyl]propanoate CAS Name: 3-[[3-[(3-ethynyl-5-formylphenoxy)methyl]phenyl]methyldisulfanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[(3-ethynyl-5-formylphenoxy)methyl]phenyl]methyldisulfanyl]propanoate Traditional Name: 3-[[3-[(3-ethynyl-5-formyl-phenoxy)methyl]benzyl]disulfanyl]propionic acid methyl ester Formula: C21H20O4S2 MolecularWeight: 400.5111

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSSCC1=CC=CC(=C1)COC2=CC(=CC(=C2)C=O)C#C

Isomeric SMILES

COC(=O)CCSSCC1=CC=CC(=C1)COC2=CC(=CC(=C2)C=O)C#C

InChI

InChI=1S/C21H20O4S2/c1-3-16-9-19(13-22)12-20(11-16)25-14-17-5-4-6-18(10-17)15-27-26-8-7-21(23)24-2/h1,4-6,9-13H,7-8,14-15H2,2H3