3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalate

Systemtic Name: 3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalate Openeye Name: 3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalate CAS Name: 3,4-bis[3-(2-hydroxyethylthio)propyl]phthalate IUPAC Name: 3,4-bis[3-(2-hydroxyethylsulfanyl)propyl]phthalate Traditional Name: 3,4-bis[3-(2-hydroxyethylthio)propyl]phthalate Formula: C18H24O6S2-2 MolecularWeight: 400.50956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCSCCO)CCCSCCO)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1CCCSCCO)CCCSCCO)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H26O6S2/c19-7-11-25-9-1-3-13-5-6-15(17(21)22)16(18(23)24)14(13)4-2-10-26-12-8-20/h5-6,19-20H,1-4,7-12H2,(H,21,22)(H,23,24)/p-2