7-octyl-1,5,8-tris(oxidanylidene)-7-propan-2-yl-6,8a-dihydronaphthalene-2-sulfonic acid

Systemtic Name: 7-octyl-1,5,8-tris(oxidanylidene)-7-propan-2-yl-6,8a-dihydronaphthalene-2-sulfonic acid Openeye Name: 7-isopropyl-7-octyl-1,5,8-trioxo-6,8a-dihydronaphthalene-2-sulfonic acid CAS Name: 7-octyl-1,5,8-trioxo-7-propan-2-yl-6,8a-dihydronaphthalene-2-sulfonic acid IUPAC Name: 7-octyl-1,5,8-trioxo-7-propan-2-yl-6,8a-dihydronaphthalene-2-sulfonic acid Traditional Name: 7-isopropyl-1,5,8-triketo-7-octyl-6,8a-dihydronaphthalene-2-sulfonic acid Formula: C21H30O6S MolecularWeight: 410.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CC(=O)C2=CC=C(C(=O)C2C1=O)S(=O)(=O)O)C(C)C

Isomeric SMILES

CCCCCCCCC1(CC(=O)C2=CC=C(C(=O)C2C1=O)S(=O)(=O)O)C(C)C

InChI

InChI=1S/C21H30O6S/c1-4-5-6-7-8-9-12-21(14(2)3)13-16(22)15-10-11-17(28(25,26)27)19(23)18(15)20(21)24/h10-11,14,18H,4-9,12-13H2,1-3H3,(H,25,26,27)