O4-methyl O1-sulfo 2-methylbenzene-1,4-dicarboxylate

Systemtic Name: O4-methyl O1-sulfo 2-methylbenzene-1,4-dicarboxylate Openeye Name: O4-methyl O1-sulfo 2-methylbenzene-1,4-dicarboxylate CAS Name: 2-methylbenzene-1,4-dicarboxylic acid O4-methyl ester O1-sulfo ester IUPAC Name: 4-O-methyl 1-O-sulfo 2-methylbenzene-1,4-dicarboxylate Traditional Name: 2-methylbenzene-1,4-dicarboxylic acid O4-methyl ester O1-sulfo ester Formula: C10H10O7S MolecularWeight: 274.2472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)C(=O)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C10H10O7S/c1-6-5-7(9(11)16-2)3-4-8(6)10(12)17-18(13,14)15/h3-5H,1-2H3,(H,13,14,15)