5-(7-carboxy-1-sulfanyl-tridecan-7-yl)-6-hexyl-12-sulfanyl-5-(sulfanylmethyl)dodecane-1,4,6-tricarboxylic acid

Systemtic Name: 5-(7-carboxy-1-sulfanyl-tridecan-7-yl)-6-hexyl-12-sulfanyl-5-(sulfanylmethyl)dodecane-1,4,6-tricarboxylic acid Openeye Name: 5-(1-carboxy-1-hexyl-7-sulfanyl-heptyl)-6-hexyl-12-sulfanyl-5-(sulfanylmethyl)dodecane-1,4,6-tricarboxylic acid CAS Name: 5-(7-carboxy-1-mercaptotridecan-7-yl)-6-hexyl-12-mercapto-5-(mercaptomethyl)dodecane-1,4,6-tricarboxylic acid IUPAC Name: 5-(7-carboxy-1-sulfanyltridecan-7-yl)-6-hexyl-12-sulfanyl-5-(sulfanylmethyl)dodecane-1,4,6-tricarboxylic acid Traditional Name: 5-(1-carboxy-1-hexyl-7-mercapto-heptyl)-6-hexyl-12-mercapto-5-(mercaptomethyl)dodecane-1,4,6-tricarboxylic acid Formula: C36H66O8S3 MolecularWeight: 723.09944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66O8S3/c1-3-5-7-13-22-34(32(41)42,24-15-9-11-17-26-45)36(28-47,29(31(39)40)20-19-21-30(37)38)35(33(43)44,23-14-8-6-4-2)25-16-10-12-18-27-46/h29,45-47H,3-28H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)