3,4-bis(3-octadecylsulfanylpropyl)phthalate

Systemtic Name: 3,4-bis(3-octadecylsulfanylpropyl)phthalate Openeye Name: 3,4-bis(3-octadecylsulfanylpropyl)phthalate CAS Name: 3,4-bis[3-(octadecylthio)propyl]phthalate IUPAC Name: 3,4-bis(3-octadecylsulfanylpropyl)phthalate Traditional Name: 3,4-bis[3-(stearylthio)propyl]phthalate Formula: C50H88O4S2-2 MolecularWeight: 817.36132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H90O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-55-43-35-37-45-39-40-47(49(51)52)48(50(53)54)46(45)38-36-44-56-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38,41-44H2,1-2H3,(H,51,52)(H,53,54)/p-2