sodium 3-[cyclopropyl(oxidanyl)methyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: sodium 3-[cyclopropyl(oxidanyl)methyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: sodium 3-[cyclopropyl(hydroxy)methyl]-7-isopropyl-azulene-1-carboxylate CAS Name: sodium 3-[cyclopropyl(hydroxy)methyl]-7-propan-2-yl-1-azulenecarboxylate IUPAC Name: sodium 3-[cyclopropyl(hydroxy)methyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: sodium 3-[cyclopropyl(hydroxy)methyl]-7-isopropyl-azulene-1-carboxylate Formula: C18H19NaO3 MolecularWeight: 306.33143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)[O-])C(C3CC3)O.[Na+]

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)[O-])C(C3CC3)O.[Na+]

InChI

InChI=1S/C18H20O3.Na/c1-10(2)12-4-3-5-13-14(8-12)16(18(20)21)9-15(13)17(19)11-6-7-11;/h3-5,8-11,17,19H,6-7H2,1-2H3,(H,20,21);/q;+1/p-1