methylbenzene; phenylmethanesulfonic acid

Systemtic Name: methylbenzene; phenylmethanesulfonic acid Openeye Name: phenylmethanesulfonic acid; toluene CAS Name: phenylmethanesulfonic acid; toluene IUPAC Name: phenylmethanesulfonic acid; toluene Traditional Name: phenylmethanesulfonic acid; toluene Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C7H8/c8-11(9,10)6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h1-5H,6H2,(H,8,9,10);2-6H,1H3