3,4-bis(3-cyclohexylsulfanylpropyl)phthalate

Systemtic Name: 3,4-bis(3-cyclohexylsulfanylpropyl)phthalate Openeye Name: 3,4-bis(3-cyclohexylsulfanylpropyl)phthalate CAS Name: 3,4-bis[3-(cyclohexylthio)propyl]phthalate IUPAC Name: 3,4-bis(3-cyclohexylsulfanylpropyl)phthalate Traditional Name: 3,4-bis[3-(cyclohexylthio)propyl]phthalate Formula: C26H36O4S2-2 MolecularWeight: 476.69164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCCC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CCCSC3CCCCC3

Isomeric SMILES

C1CCC(CC1)SCCCC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CCCSC3CCCCC3

InChI

InChI=1S/C26H38O4S2/c27-25(28)23-16-15-19(9-7-17-31-20-10-3-1-4-11-20)22(24(23)26(29)30)14-8-18-32-21-12-5-2-6-13-21/h15-16,20-21H,1-14,17-18H2,(H,27,28)(H,29,30)/p-2