2-[3,5-bis(2-carboxysulfanylethyl)-4-oxidanyl-phenyl]ethylsulfanylmethanoic acid

Systemtic Name: 2-[3,5-bis(2-carboxysulfanylethyl)-4-oxidanyl-phenyl]ethylsulfanylmethanoic acid Openeye Name: 2-[3,5-bis(2-carboxysulfanylethyl)-4-hydroxy-phenyl]ethylsulfanylformic acid CAS Name: [2-[3,5-bis[2-(carboxythio)ethyl]-4-hydroxyphenyl]ethylthio]formic acid IUPAC Name: 2-[3,5-bis(2-carboxysulfanylethyl)-4-hydroxyphenyl]ethylsulfanylformic acid Traditional Name: [2-[3,5-bis[2-(carboxythio)ethyl]-4-hydroxy-phenyl]ethylthio]formic acid Formula: C15H18O7S3 MolecularWeight: 406.49422

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CCSC(=O)O)O)CCSC(=O)O)CCSC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CCSC(=O)O)O)CCSC(=O)O)CCSC(=O)O

InChI

InChI=1S/C15H18O7S3/c16-12-10(2-5-24-14(19)20)7-9(1-4-23-13(17)18)8-11(12)3-6-25-15(21)22/h7-8,16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)