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

Systemtic Name: 6-octyl-4,7-bis(oxidanylidene)-3-propan-2-yl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonic acid Openeye Name: 3-isopropyl-6-octyl-4,7-dioxo-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonic acid CAS Name: 6-octyl-4,7-dioxo-3-propan-2-yl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonic acid IUPAC Name: 6-octyl-4,7-dioxo-3-propan-2-yl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonic acid Traditional Name: 3-isopropyl-4,7-diketo-6-octyl-5,6-dihydronaphtho[1,2-b]oxirene-2-sulfonic acid Formula: C21H28O6S MolecularWeight: 408.50842

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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

Isomeric SMILES

CCCCCCCCC1CC(=O)C2=C(C1=O)C3=C(O3)C(=C2C(C)C)S(=O)(=O)O

InChI

InChI=1S/C21H28O6S/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)