sodium (E)-3-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]prop-2-enoate

Systemtic Name: sodium (E)-3-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]prop-2-enoate Openeye Name: sodium (E)-3-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]prop-2-enoate CAS Name: sodium (E)-3-[3,4-bis[4-(1-oxoprop-2-enylamino)butoxy]phenyl]-2-propenoate IUPAC Name: sodium (E)-3-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]prop-2-enoate Traditional Name: sodium (E)-3-[3,4-bis(4-acrylamidobutoxy)phenyl]acrylate Formula: C23H29N2NaO6 MolecularWeight: 452.47593

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=C(C=C1)C=CC(=O)[O-])OCCCCNC(=O)C=C.[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C(C=C1)/C=C/C(=O)[O-])OCCCCNC(=O)C=C.[Na+]

InChI

InChI=1S/C23H30N2O6.Na/c1-3-21(26)24-13-5-7-15-30-19-11-9-18(10-12-23(28)29)17-20(19)31-16-8-6-14-25-22(27)4-2;/h3-4,9-12,17H,1-2,5-8,13-16H2,(H,24,26)(H,25,27)(H,28,29);/q;+1/p-1/b12-10+;