1-[(4-{2-[(4-methylbenzenesulfonyl)methyl]prop-2-enoyl}phenyl)formamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

CAS: 2055048-45-6

Formula: C37H53NO14S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)C1=CC=C(C=C1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O

IUPAC: 1-[(4-{2-[(4-methylbenzenesulfonyl)methyl]prop-2-enoyl}phenyl)formamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

InChI: InChI=1S/C37H53NO14S/c1-30-3-9-34(10-4-30)53(43,44)29-31(2)36(41)32-5-7-33(8-6-32)37(42)38-12-14-46-16-18-48-20-22-50-24-26-52-28-27-51-25-23-49-21-19-47-17-15-45-13-11-35(39)40/h3-10H,2,11-29H2,1H3,(H,38,42)(H,39,40)

Composition: C (57.87%), H (6.96%), N (1.82%), O (29.17%), S (4.18%)

Molar Mass: 767.88

Atom Count: 106

Heavy Atom Count: 53