2-[(4-ethenylphenyl)methylsulfanyl]-2-[ethoxy(ethylsulfanyl)methyl]propanedioic acid

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-2-[ethoxy(ethylsulfanyl)methyl]propanedioic acid Openeye Name: 2-[ethoxy(ethylsulfanyl)methyl]-2-[(4-vinylphenyl)methylsulfanyl]propanedioic acid CAS Name: 2-[(4-ethenylphenyl)methylthio]-2-[ethoxy-(ethylthio)methyl]propanedioic acid IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-2-[ethoxy(ethylsulfanyl)methyl]propanedioic acid Traditional Name: 2-[ethoxy-(ethylthio)methyl]-2-[(4-vinylbenzyl)thio]malonic acid Formula: C17H22O5S2 MolecularWeight: 370.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C(=O)O)(C(=O)O)SCC1=CC=C(C=C1)C=C)SCC

Isomeric SMILES

CCOC(C(C(=O)O)(C(=O)O)SCC1=CC=C(C=C1)C=C)SCC

InChI

InChI=1S/C17H22O5S2/c1-4-12-7-9-13(10-8-12)11-24-17(14(18)19,15(20)21)16(22-5-2)23-6-3/h4,7-10,16H,1,5-6,11H2,2-3H3,(H,18,19)(H,20,21)