sodium; (Z)-4-(2-butoxyethoxy)-4-oxidanylidene-but-2-enoic acid; octadec-1-ene; prop-2-enoate

Systemtic Name: sodium; (Z)-4-(2-butoxyethoxy)-4-oxidanylidene-but-2-enoic acid; octadec-1-ene; prop-2-enoate Openeye Name: sodium; (Z)-4-(2-butoxyethoxy)-4-oxo-but-2-enoic acid; octadec-1-ene; prop-2-enoate CAS Name: sodium; (Z)-4-(2-butoxyethoxy)-4-oxo-2-butenoic acid; 1-octadecene; 2-propenoate IUPAC Name: sodium; (Z)-4-(2-butoxyethoxy)-4-oxobut-2-enoic acid; octadec-1-ene; prop-2-enoate Traditional Name: sodium; acrylate; (Z)-4-(2-butoxyethoxy)-4-keto-but-2-enoic acid; octadec-1-ene Formula: C31H55NaO7 MolecularWeight: 562.75397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=C.CCCCOCCOC(=O)C=CC(=O)O.C=CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC=C.CCCCOCCOC(=O)/C=C\C(=O)O.C=CC(=O)[O-].[Na+]

InChI

InChI=1S/C18H36.C10H16O5.C3H4O2.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2-3-6-14-7-8-15-10(13)5-4-9(11)12;1-2-3(4)5;/h3H,1,4-18H2,2H3;4-5H,2-3,6-8H2,1H3,(H,11,12);2H,1H2,(H,4,5);/q;;;+1/p-1/b;5-4-;;