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sodium 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoate

sodium 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name:sodium 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoate
Openeye Name:sodium 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoate
CAS Name:sodium 3,5-bis[4-(1-oxoprop-2-enylamino)butoxy]benzoate
IUPAC Name:sodium 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoate
Traditional Name:sodium 3,5-bis(4-acrylamidobutoxy)benzoate
Formula: C21H27N2NaO6
MolecularWeight: 426.43865
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H28N2O6.Na/c1-3-19(24)22-9-5-7-11-28-17-13-16(21(26)27)14-18(15-17)29-12-8-6-10-23-20(25)4-2;/h3-4,13-15H,1-2,5-12H2,(H,22,24)(H,23,25)(H,26,27);/q;+1/p-1


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