3-(2,3-dicarboxyphenyl)sulfonylphthalic acid; phenol

Systemtic Name: 3-(2,3-dicarboxyphenyl)sulfonylphthalic acid; phenol Openeye Name: 3-(2,3-dicarboxyphenyl)sulfonylphthalic acid; phenol CAS Name: 3-(2,3-dicarboxyphenyl)sulfonylphthalic acid; phenol IUPAC Name: 3-(2,3-dicarboxyphenyl)sulfonylphthalic acid; phenol Traditional Name: 3-(2,3-dicarboxyphenyl)sulfonylphthalic acid; phenol Formula: C22H16O11S MolecularWeight: 488.42084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)O.C1=CC(=C(C(=C1)S(=O)(=O)C2=CC=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)O.C1=CC(=C(C(=C1)S(=O)(=O)C2=CC=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O10S.C6H6O/c17-13(18)7-3-1-5-9(11(7)15(21)22)27(25,26)10-6-2-4-8(14(19)20)12(10)16(23)24;7-6-4-2-1-3-5-6/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-5,7H