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

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

Systemtic Name:sodium 2-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]ethanoate
Openeye Name:sodium 2-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]acetate
CAS Name:sodium 2-[3,4-bis[4-(1-oxoprop-2-enylamino)butoxy]phenyl]acetate
IUPAC Name:sodium 2-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]acetate
Traditional Name:sodium 2-[3,4-bis(4-acrylamidobutoxy)phenyl]acetate
Formula: C22H29N2NaO6
MolecularWeight: 440.46523
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H30N2O6.Na/c1-3-20(25)23-11-5-7-13-29-18-10-9-17(16-22(27)28)15-19(18)30-14-8-6-12-24-21(26)4-2;/h3-4,9-10,15H,1-2,5-8,11-14,16H2,(H,23,25)(H,24,26)(H,27,28);/q;+1/p-1


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