2-(3-tert-butyl-5-hexadecylsulfanyl-5,6-dimethyl-1-octadecoxy-4-oxidanyl-6-propyl-cyclohex-2-en-1-yl)ethanoate

Systemtic Name: 2-(3-tert-butyl-5-hexadecylsulfanyl-5,6-dimethyl-1-octadecoxy-4-oxidanyl-6-propyl-cyclohex-2-en-1-yl)ethanoate Openeye Name: 2-(3-tert-butyl-5-hexadecylsulfanyl-4-hydroxy-5,6-dimethyl-1-octadecoxy-6-propyl-cyclohex-2-en-1-yl)acetate CAS Name: 2-[3-tert-butyl-5-(hexadecylthio)-4-hydroxy-5,6-dimethyl-1-octadecoxy-6-propyl-1-cyclohex-2-enyl]acetate IUPAC Name: 2-(3-tert-butyl-5-hexadecylsulfanyl-4-hydroxy-5,6-dimethyl-1-octadecoxy-6-propylcyclohex-2-en-1-yl)acetate Traditional Name: 2-[3-tert-butyl-5-(cetylthio)-4-hydroxy-5,6-dimethyl-6-propyl-1-stearyloxy-cyclohex-2-en-1-yl]acetate Formula: C51H97O4S- MolecularWeight: 806.37848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1(C=C(C(C(C1(C)CCC)(C)SCCCCCCCCCCCCCCCC)O)C(C)(C)C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1(C=C(C(C(C1(C)CCC)(C)SCCCCCCCCCCCCCCCC)O)C(C)(C)C)CC(=O)[O-]

InChI

InChI=1S/C51H98O4S/c1-9-12-14-16-18-20-22-24-26-27-28-30-32-34-36-38-41-55-51(44-46(52)53)43-45(48(4,5)6)47(54)50(8,49(51,7)40-11-3)56-42-39-37-35-33-31-29-25-23-21-19-17-15-13-10-2/h43,47,54H,9-42,44H2,1-8H3,(H,52,53)/p-1