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4-methylbenzenesulfonic acid; phenylmethoxymethylbenzene

4-methylbenzenesulfonic acid; phenylmethoxymethylbenzene

Systemtic Name:4-methylbenzenesulfonic acid; phenylmethoxymethylbenzene
Openeye Name:benzyloxymethylbenzene; 4-methylbenzenesulfonic acid
CAS Name:4-methylbenzenesulfonic acid; phenylmethoxymethylbenzene
IUPAC Name:4-methylbenzenesulfonic acid; phenylmethoxymethylbenzene
Traditional Name:benzoxymethylbenzene; tosylic acid
Formula: C21H22O4S
MolecularWeight: 370.46198
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COCC2=CC=CC=C2


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COCC2=CC=CC=C2


InChI

InChI=1S/C14H14O.C7H8O3S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-12H2;2-5H,1H3,(H,8,9,10)


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