1-ethoxy-4-(4-ethoxyphenyl)sulfonyl-benzene; naphthalene-2,6-dicarboxylic acid

Systemtic Name: 1-ethoxy-4-(4-ethoxyphenyl)sulfonyl-benzene; naphthalene-2,6-dicarboxylic acid Openeye Name: 1-ethoxy-4-(4-ethoxyphenyl)sulfonyl-benzene; naphthalene-2,6-dicarboxylic acid CAS Name: 1-ethoxy-4-(4-ethoxyphenyl)sulfonylbenzene; naphthalene-2,6-dicarboxylic acid IUPAC Name: 1-ethoxy-4-(4-ethoxyphenyl)sulfonylbenzene; naphthalene-2,6-dicarboxylic acid Traditional Name: 1-ethoxy-4-p-phenetylsulfonyl-benzene; naphthalene-2,6-dicarboxylic acid Formula: C28H26O8S MolecularWeight: 522.56624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC.C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC.C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C(=O)O

InChI

InChI=1S/C16H18O4S.C12H8O4/c1-3-19-13-5-9-15(10-6-13)21(17,18)16-11-7-14(8-12-16)20-4-2;13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h5-12H,3-4H2,1-2H3;1-6H,(H,13,14)(H,15,16)