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anthracene-1,4-dicarboxylic acid; 6-(2-carboxyphenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid

anthracene-1,4-dicarboxylic acid; 6-(2-carboxyphenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name:anthracene-1,4-dicarboxylic acid; 6-(2-carboxyphenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid
Openeye Name:anthracene-1,4-dicarboxylic acid; 6-(2-carboxyphenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid
CAS Name:anthracene-1,4-dicarboxylic acid; 6-(2-carboxyphenyl)-4-sulfonyl-1-cyclohexa-1,5-dienecarboxylic acid
IUPAC Name:anthracene-1,4-dicarboxylic acid; 6-(2-carboxyphenyl)-4-sulfonylcyclohexa-1,5-diene-1-carboxylic acid
Traditional Name:anthracene-1,4-dicarboxylic acid; 6-(2-carboxyphenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid
Formula: C30H20O10S
MolecularWeight: 572.5388
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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1=S(=O)=O)C2=CC=CC=C2C(=O)O)C(=O)O.C1=CC=C2C=C3C(=CC=C(C3=CC2=C1)C(=O)O)C(=O)O


Isomeric SMILES

C1C=C(C(=CC1=S(=O)=O)C2=CC=CC=C2C(=O)O)C(=O)O.C1=CC=C2C=C3C(=CC=C(C3=CC2=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C16H10O4.C14H10O6S/c17-15(18)11-5-6-12(16(19)20)14-8-10-4-2-1-3-9(10)7-13(11)14;15-13(16)10-4-2-1-3-9(10)12-7-8(21(19)20)5-6-11(12)14(17)18/h1-8H,(H,17,18)(H,19,20);1-4,6-7H,5H2,(H,15,16)(H,17,18)


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