3,4-bis[1-(3-oxidanylpropylsulfanyl)propyl]phthalate

Systemtic Name: 3,4-bis[1-(3-oxidanylpropylsulfanyl)propyl]phthalate Openeye Name: 3,4-bis[1-(3-hydroxypropylsulfanyl)propyl]phthalate CAS Name: 3,4-bis[1-(3-hydroxypropylthio)propyl]phthalate IUPAC Name: 3,4-bis[1-(3-hydroxypropylsulfanyl)propyl]phthalate Traditional Name: 3,4-bis[1-(3-hydroxypropylthio)propyl]phthalate Formula: C20H28O6S2-2 MolecularWeight: 428.56272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)SCCCO)SCCCO

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)SCCCO)SCCCO

InChI

InChI=1S/C20H30O6S2/c1-3-15(27-11-5-9-21)13-7-8-14(19(23)24)18(20(25)26)17(13)16(4-2)28-12-6-10-22/h7-8,15-16,21-22H,3-6,9-12H2,1-2H3,(H,23,24)(H,25,26)/p-2