sodium 2,2,2-tris[2-[4-(prop-2-enoylamino)butoxy]phenyl]ethanoate

Systemtic Name: sodium 2,2,2-tris[2-[4-(prop-2-enoylamino)butoxy]phenyl]ethanoate Openeye Name: sodium 2,2,2-tris[2-[4-(prop-2-enoylamino)butoxy]phenyl]acetate CAS Name: sodium 2,2,2-tris[2-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]acetate IUPAC Name: sodium 2,2,2-tris[2-[4-(prop-2-enoylamino)butoxy]phenyl]acetate Traditional Name: sodium 2,2,2-tris[2-(4-acrylamidobutoxy)phenyl]acetate Formula: C41H48N3NaO8 MolecularWeight: 733.82489

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC=CC=C1C(C2=CC=CC=C2OCCCCNC(=O)C=C)(C3=CC=CC=C3OCCCCNC(=O)C=C)C(=O)[O-].[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC=CC=C1C(C2=CC=CC=C2OCCCCNC(=O)C=C)(C3=CC=CC=C3OCCCCNC(=O)C=C)C(=O)[O-].[Na+]

InChI

InChI=1S/C41H49N3O8.Na/c1-4-37(45)42-25-13-16-28-50-34-22-10-7-19-31(34)41(40(48)49,32-20-8-11-23-35(32)51-29-17-14-26-43-38(46)5-2)33-21-9-12-24-36(33)52-30-18-15-27-44-39(47)6-3;/h4-12,19-24H,1-3,13-18,25-30H2,(H,42,45)(H,43,46)(H,44,47)(H,48,49);/q;+1/p-1