sodium 6-[5-(2-ethanoyl-3-oxidanyl-4-prop-2-enyl-phenoxy)pentoxy]naphthalene-2-carboxylate

Systemtic Name: sodium 6-[5-(2-ethanoyl-3-oxidanyl-4-prop-2-enyl-phenoxy)pentoxy]naphthalene-2-carboxylate Openeye Name: sodium 6-[5-(2-acetyl-4-allyl-3-hydroxy-phenoxy)pentoxy]naphthalene-2-carboxylate CAS Name: sodium 6-[5-(2-acetyl-3-hydroxy-4-prop-2-enylphenoxy)pentoxy]-2-naphthalenecarboxylate IUPAC Name: sodium 6-[5-(2-acetyl-3-hydroxy-4-prop-2-enylphenoxy)pentoxy]naphthalene-2-carboxylate Traditional Name: sodium 6-[5-(2-acetyl-4-allyl-3-hydroxy-phenoxy)pentoxy]-2-naphthoate Formula: C27H27NaO6 MolecularWeight: 470.48945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1O)CC=C)OCCCCCOC2=CC3=C(C=C2)C=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1O)CC=C)OCCCCCOC2=CC3=C(C=C2)C=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H28O6.Na/c1-3-7-19-11-13-24(25(18(2)28)26(19)29)33-15-6-4-5-14-32-23-12-10-20-16-22(27(30)31)9-8-21(20)17-23;/h3,8-13,16-17,29H,1,4-7,14-15H2,2H3,(H,30,31);/q;+1/p-1