2-[7,9-bis(2-sulfanylethoxycarbonyl)-8-(sulfanylmethyl)pentadecan-8-yl]hexanedioic acid

Systemtic Name: 2-[7,9-bis(2-sulfanylethoxycarbonyl)-8-(sulfanylmethyl)pentadecan-8-yl]hexanedioic acid Openeye Name: 2-[2-(2-sulfanylethoxycarbonyl)-1-[1-(2-sulfanylethoxycarbonyl)heptyl]-1-(sulfanylmethyl)octyl]hexanedioic acid CAS Name: 2-[7,9-bis[2-mercaptoethoxy(oxo)methyl]-8-(mercaptomethyl)pentadecan-8-yl]hexanedioic acid IUPAC Name: 2-[7,9-bis(2-sulfanylethoxycarbonyl)-8-(sulfanylmethyl)pentadecan-8-yl]hexanedioic acid Traditional Name: 2-[2-(2-mercaptoethoxycarbonyl)-1-[1-(2-mercaptoethoxycarbonyl)heptyl]-1-(mercaptomethyl)octyl]adipic acid Formula: C28H50O8S3 MolecularWeight: 610.8868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCCS)C(CS)(C(CCCCCC)C(=O)OCCS)C(CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OCCS)C(CS)(C(CCCCCC)C(=O)OCCS)C(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C28H50O8S3/c1-3-5-7-9-12-22(26(33)35-16-18-37)28(20-39,21(25(31)32)14-11-15-24(29)30)23(13-10-8-6-4-2)27(34)36-17-19-38/h21-23,37-39H,3-20H2,1-2H3,(H,29,30)(H,31,32)