sodium 5-(3-methylbutoxy)-4-oxidanylidene-8-prop-2-enyl-chromene-2-carboxylate

Systemtic Name: sodium 5-(3-methylbutoxy)-4-oxidanylidene-8-prop-2-enyl-chromene-2-carboxylate Openeye Name: sodium 8-allyl-5-isopentyloxy-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-(3-methylbutoxy)-4-oxo-8-prop-2-enyl-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-(3-methylbutoxy)-4-oxo-8-prop-2-enylchromene-2-carboxylate Traditional Name: sodium 8-allyl-5-isoamoxy-4-keto-chromene-2-carboxylate Formula: C18H19NaO5 MolecularWeight: 338.33023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C2C(=O)C=C(OC2=C(C=C1)CC=C)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCOC1=C2C(=O)C=C(OC2=C(C=C1)CC=C)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H20O5.Na/c1-4-5-12-6-7-14(22-9-8-11(2)3)16-13(19)10-15(18(20)21)23-17(12)16;/h4,6-7,10-11H,1,5,8-9H2,2-3H3,(H,20,21);/q;+1/p-1