3-(3-ethylsulfanylpropyl)-4-(3-methylsulfanylpropyl)phthalate

Systemtic Name: 3-(3-ethylsulfanylpropyl)-4-(3-methylsulfanylpropyl)phthalate Openeye Name: 3-(3-ethylsulfanylpropyl)-4-(3-methylsulfanylpropyl)phthalate CAS Name: 3-[3-(ethylthio)propyl]-4-[3-(methylthio)propyl]phthalate IUPAC Name: 3-(3-ethylsulfanylpropyl)-4-(3-methylsulfanylpropyl)phthalate Traditional Name: 3-[3-(ethylthio)propyl]-4-[3-(methylthio)propyl]phthalate Formula: C17H22O4S2-2 MolecularWeight: 354.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCSC

Isomeric SMILES

CCSCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCSC

InChI

InChI=1S/C17H24O4S2/c1-3-23-11-5-7-13-12(6-4-10-22-2)8-9-14(16(18)19)15(13)17(20)21/h8-9H,3-7,10-11H2,1-2H3,(H,18,19)(H,20,21)/p-2