4-(4-propan-2-ylphenoxy)sulfonylnaphthalene-1,8-dicarboxylic acid

Systemtic Name: 4-(4-propan-2-ylphenoxy)sulfonylnaphthalene-1,8-dicarboxylic acid Openeye Name: 4-(4-isopropylphenoxy)sulfonylnaphthalene-1,8-dicarboxylic acid CAS Name: 4-(4-propan-2-ylphenoxy)sulfonylnaphthalene-1,8-dicarboxylic acid IUPAC Name: 4-(4-propan-2-ylphenoxy)sulfonylnaphthalene-1,8-dicarboxylic acid Traditional Name: 4-(4-isopropylphenoxy)sulfonylnaphthalic acid Formula: C21H18O7S MolecularWeight: 414.42842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC=C(C3=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC=C(C3=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H18O7S/c1-12(2)13-6-8-14(9-7-13)28-29(26,27)18-11-10-17(21(24)25)19-15(18)4-3-5-16(19)20(22)23/h3-12H,1-2H3,(H,22,23)(H,24,25)