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2-methylbenzenesulfonic acid hydrate

2-methylbenzenesulfonic acid hydrate

Systemtic Name:2-methylbenzenesulfonic acid hydrate
Openeye Name:2-methylbenzenesulfonic acid hydrate
CAS Name:2-methylbenzenesulfonic acid hydrate
IUPAC Name:2-methylbenzenesulfonic acid hydrate
Traditional Name:2-methylbesylic acid hydrate
Formula: C7H10O4S
MolecularWeight: 190.2169
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.O


Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.O


InChI

InChI=1S/C7H8O3S.H2O/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2


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