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

Systemtic Name: 3,4-bis[1-(1-hydroxyethylsulfanyl)propyl]phthalate Openeye Name: 3,4-bis[1-(1-hydroxyethylsulfanyl)propyl]phthalate CAS Name: 3,4-bis[1-(1-hydroxyethylthio)propyl]phthalate IUPAC Name: 3,4-bis[1-(1-hydroxyethylsulfanyl)propyl]phthalate Traditional Name: 3,4-bis[1-(1-hydroxyethylthio)propyl]phthalate Formula: C18H24O6S2-2 MolecularWeight: 400.50956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O6S2/c1-5-13(25-9(3)19)11-7-8-12(17(21)22)16(18(23)24)15(11)14(6-2)26-10(4)20/h7-10,13-14,19-20H,5-6H2,1-4H3,(H,21,22)(H,23,24)/p-2