3,4-dihydro-1,2-benzodioxine; 2,4-dimethylbenzenesulfonic acid

Systemtic Name: 3,4-dihydro-1,2-benzodioxine; 2,4-dimethylbenzenesulfonic acid Openeye Name: 3,4-dihydro-1,2-benzodioxine; 2,4-dimethylbenzenesulfonic acid CAS Name: 3,4-dihydro-1,2-benzodioxin; 2,4-dimethylbenzenesulfonic acid IUPAC Name: 3,4-dihydro-1,2-benzodioxine; 2,4-dimethylbenzenesulfonic acid Traditional Name: 3,4-dihydro-1,2-benzodioxin; 2,4-dimethylbesylic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C.C1COOC2=CC=CC=C21

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C.C1COOC2=CC=CC=C21

InChI

InChI=1S/C8H10O3S.C8H8O2/c1-6-3-4-8(7(2)5-6)12(9,10)11;1-2-4-8-7(3-1)5-6-9-10-8/h3-5H,1-2H3,(H,9,10,11);1-4H,5-6H2