3,4-bis(3-propan-2-ylsulfanylpropyl)phthalate

Systemtic Name: 3,4-bis(3-propan-2-ylsulfanylpropyl)phthalate Openeye Name: 3,4-bis(3-isopropylsulfanylpropyl)phthalate CAS Name: 3,4-bis[3-(propan-2-ylthio)propyl]phthalate IUPAC Name: 3,4-bis(3-propan-2-ylsulfanylpropyl)phthalate Traditional Name: 3,4-bis[3-(isopropylthio)propyl]phthalate Formula: C20H28O4S2-2 MolecularWeight: 396.56392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSC(C)C

Isomeric SMILES

CC(C)SCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSC(C)C

InChI

InChI=1S/C20H30O4S2/c1-13(2)25-11-5-7-15-9-10-17(19(21)22)18(20(23)24)16(15)8-6-12-26-14(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22)(H,23,24)/p-2