2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid; phenylsulfonylbenzene

Systemtic Name: 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid; phenylsulfonylbenzene Openeye Name: benzenesulfonylbenzene; 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid CAS Name: benzenesulfonylbenzene; 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid IUPAC Name: benzenesulfonylbenzene; 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid Traditional Name: besylbenzene; 2-[(2,5-dicarboxybenzyl)oxymethyl]terephthalic acid Formula: C48H38O20S MolecularWeight: 966.86832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/2C18H14O9.C12H10O2S/c2*19-15(20)9-1-3-13(17(23)24)11(5-9)7-27-8-12-6-10(16(21)22)2-4-14(12)18(25)26;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-6H,7-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26);1-10H