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2,5-dimethyl-3-sulfo-benzoic acid

2,5-dimethyl-3-sulfo-benzoic acid

Systemtic Name:2,5-dimethyl-3-sulfo-benzoic acid
Openeye Name:2,5-dimethyl-3-sulfo-benzoic acid
CAS Name:2,5-dimethyl-3-sulfobenzoic acid
IUPAC Name:2,5-dimethyl-3-sulfobenzoic acid
Traditional Name:2,5-dimethyl-3-sulfo-benzoic acid
Formula: C9H10O5S
MolecularWeight: 230.2377
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)C)S(=O)(=O)O


Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)C)S(=O)(=O)O


InChI

InChI=1S/C9H10O5S/c1-5-3-7(9(10)11)6(2)8(4-5)15(12,13)14/h3-4H,1-2H3,(H,10,11)(H,12,13,14)


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