2-[[3-hexadecanoyloxy-2,7,12,13-tetrakis(oxidanyl)octadecanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[3-hexadecanoyloxy-2,7,12,13-tetrakis(oxidanyl)octadecanoyl]amino]ethanesulfonic acid Openeye Name: 2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxy-octadecanoyl)amino]ethanesulfonic acid CAS Name: 2-[[2,7,12,13-tetrahydroxy-1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]ethanesulfonic acid IUPAC Name: 2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid Traditional Name: 2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxy-octadecanoyl)amino]ethanesulfonic acid Formula: C36H71NO10S MolecularWeight: 710.01464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCC(CCCCC(C(CCCCC)O)O)O)C(C(=O)NCCS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCC(CCCCC(C(CCCCC)O)O)O)C(C(=O)NCCS(=O)(=O)O)O

InChI

InChI=1S/C36H71NO10S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-27-34(41)47-33(35(42)36(43)37-28-29-48(44,45)46)26-21-23-30(38)22-19-20-25-32(40)31(39)24-17-6-4-2/h30-33,35,38-40,42H,3-29H2,1-2H3,(H,37,43)(H,44,45,46)