(E,2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-oxidanyl-hexadecanoyl]amino]-3-oxidanyl-hexadec-4-ene-1-sulfonic acid

Systemtic Name: (E,2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-oxidanyl-hexadecanoyl]amino]-3-oxidanyl-hexadec-4-ene-1-sulfonic acid Openeye Name: (E,2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadec-4-ene-1-sulfonic acid CAS Name: (E,2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-1-oxohexadecyl]amino]-15-methyl-4-hexadecene-1-sulfonic acid IUPAC Name: (E,2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methylhexadecanoyl]amino]-15-methylhexadec-4-ene-1-sulfonic acid Traditional Name: (E,2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadec-4-ene-1-sulfonic acid Formula: C34H67NO6S MolecularWeight: 617.96388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NC(CS(=O)(=O)O)C(C=CCCCCCCCCCC(C)C)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CS(=O)(=O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O

InChI

InChI=1S/C34H67NO6S/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(36)27-34(38)35-32(28-42(39,40)41)33(37)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h22,26,29-33,36-37H,5-21,23-25,27-28H2,1-4H3,(H,35,38)(H,39,40,41)/b26-22+/t31-,32+,33-/m1/s1