sodium 4-oxidanylidene-10-(2-oxidanylpropyl)-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylate

Systemtic Name: sodium 4-oxidanylidene-10-(2-oxidanylpropyl)-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylate Openeye Name: sodium 10-(2-hydroxypropyl)-4-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylate CAS Name: sodium 10-(2-hydroxypropyl)-4-oxo-6,7,8,9-tetrahydrobenzo[g][1]benzopyran-2-carboxylate IUPAC Name: sodium 10-(2-hydroxypropyl)-4-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylate Traditional Name: sodium 10-(2-hydroxypropyl)-4-keto-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylate Formula: C17H17NaO5 MolecularWeight: 324.30365

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C(=CC3=C1CCCC3)C(=O)C=C(O2)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(CC1=C2C(=CC3=C1CCCC3)C(=O)C=C(O2)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H18O5.Na/c1-9(18)6-12-11-5-3-2-4-10(11)7-13-14(19)8-15(17(20)21)22-16(12)13;/h7-9,18H,2-6H2,1H3,(H,20,21);/q;+1/p-1