sodium 6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate

Systemtic Name: sodium 6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate Openeye Name: sodium 6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate CAS Name: sodium 6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylate IUPAC Name: sodium 6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate Traditional Name: sodium 6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylate Formula: C16H12ClNaO4 MolecularWeight: 326.70685

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H13ClO4.Na/c1-16(10-5-3-2-4-6-10)12-9-11(17)7-8-13(12)20-15(21-16)14(18)19;/h2-9,15H,1H3,(H,18,19);/q;+1/p-1