14,14-bis(12-sulfanyldodecyl)-15-(3-sulfanylpropyl)heptacosane-1,13,27-trithiol

Systemtic Name: 14,14-bis(12-sulfanyldodecyl)-15-(3-sulfanylpropyl)heptacosane-1,13,27-trithiol Openeye Name: 14,14-bis(12-sulfanyldodecyl)-15-(3-sulfanylpropyl)heptacosane-1,13,27-trithiol CAS Name: 14,14-bis(12-mercaptododecyl)-15-(3-mercaptopropyl)heptacosane-1,13,27-trithiol IUPAC Name: 14,14-bis(12-sulfanyldodecyl)-15-(3-sulfanylpropyl)heptacosane-1,13,27-trithiol Traditional Name: 14,14-bis(12-mercaptododecyl)-15-(3-mercaptopropyl)heptacosane-1,13,27-trithiol Formula: C54H110S6 MolecularWeight: 951.8412

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCS)CCCCCC(CCCS)C(CCCCCCCCCCCCS)(CCCCCCCCCCCCS)C(CCCCCCCCCCCCS)S

Isomeric SMILES

C(CCCCCCS)CCCCCC(CCCS)C(CCCCCCCCCCCCS)(CCCCCCCCCCCCS)C(CCCCCCCCCCCCS)S

InChI

InChI=1S/C54H110S6/c55-47-37-29-21-13-5-1-9-17-25-33-42-52(43-41-51-59)54(45-35-27-19-11-3-7-15-23-31-39-49-57,46-36-28-20-12-4-8-16-24-32-40-50-58)53(60)44-34-26-18-10-2-6-14-22-30-38-48-56/h52-53,55-60H,1-51H2