sodium 6-octyl-4,7-bis(oxidanylidene)-3-propan-2-yl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonate

Systemtic Name: sodium 6-octyl-4,7-bis(oxidanylidene)-3-propan-2-yl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonate Openeye Name: sodium 3-isopropyl-6-octyl-4,7-dioxo-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonate CAS Name: sodium 6-octyl-4,7-dioxo-3-propan-2-yl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonate IUPAC Name: sodium 6-octyl-4,7-dioxo-3-propan-2-yl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonate Traditional Name: sodium 3-isopropyl-4,7-diketo-6-octyl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonate Formula: C21H27NaO6S MolecularWeight: 430.49025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(=O)C2=C(C1=O)C3=C(O3)C(=C2C(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1CC(=O)C2=C(C1=O)C3=C(O3)C(=C2C(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H28O6S.Na/c1-4-5-6-7-8-9-10-13-11-14(22)16-15(12(2)3)21(28(24,25)26)20-19(27-20)17(16)18(13)23;/h12-13H,4-11H2,1-3H3,(H,24,25,26);/q;+1/p-1