sodium 2,3-bis[4-(prop-2-enoylamino)butoxy]cyclohexene-1-carboperoxoic acid

Systemtic Name: sodium 2,3-bis[4-(prop-2-enoylamino)butoxy]cyclohexene-1-carboperoxoic acid Openeye Name: sodium 2,3-bis[4-(prop-2-enoylamino)butoxy]cyclohexene-1-carboperoxoic acid CAS Name: sodium 2,3-bis[4-(1-oxoprop-2-enylamino)butoxy]-1-cyclohexenecarboperoxoic acid IUPAC Name: sodium 2,3-bis[4-(prop-2-enoylamino)butoxy]cyclohexene-1-carboperoxoic acid Traditional Name: sodium 2,3-bis(4-acrylamidobutoxy)cyclohexene-1-carboperoxoic acid Formula: C21H32N2NaO7+ MolecularWeight: 447.47775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1CCCC(=C1OCCCCNC(=O)C=C)C(=O)OO.[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1CCCC(=C1OCCCCNC(=O)C=C)C(=O)OO.[Na+]

InChI

InChI=1S/C21H32N2O7.Na/c1-3-18(24)22-12-5-7-14-28-17-11-9-10-16(21(26)30-27)20(17)29-15-8-6-13-23-19(25)4-2;/h3-4,17,27H,1-2,5-15H2,(H,22,24)(H,23,25);/q;+1