[3-[(3,4-didecoxyphenyl)carbonylamino]-5-sulfooxy-oxan-4-yl] tetradecanoate

Systemtic Name: [3-[(3,4-didecoxyphenyl)carbonylamino]-5-sulfooxy-oxan-4-yl] tetradecanoate Openeye Name: [3-[(3,4-didecoxybenzoyl)amino]-5-sulfooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [3-[[(3,4-didecoxyphenyl)-oxomethyl]amino]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [3-[(3,4-didecoxybenzoyl)amino]-5-sulfooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [3-[(3,4-didecoxybenzoyl)amino]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C46H81NO10S MolecularWeight: 840.20104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(COCC1OS(=O)(=O)O)NC(=O)C2=CC(=C(C=C2)OCCCCCCCCCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(COCC1OS(=O)(=O)O)NC(=O)C2=CC(=C(C=C2)OCCCCCCCCCC)OCCCCCCCCCC

InChI

InChI=1S/C46H81NO10S/c1-4-7-10-13-16-19-20-21-22-25-28-31-44(48)56-45-40(37-53-38-43(45)57-58(50,51)52)47-46(49)39-32-33-41(54-34-29-26-23-17-14-11-8-5-2)42(36-39)55-35-30-27-24-18-15-12-9-6-3/h32-33,36,40,43,45H,4-31,34-35,37-38H2,1-3H3,(H,47,49)(H,50,51,52)