2,4-dimethyl-3-[(3R)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonic acid

Systemtic Name: 2,4-dimethyl-3-[(3R)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonic acid Openeye Name: 2,4-dimethyl-3-[(3R)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonic acid CAS Name: 2,4-dimethyl-3-[(3R)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonic acid IUPAC Name: 2,4-dimethyl-3-[(3R)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonic acid Traditional Name: 2,4-dimethyl-3-[(3R)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]besylic acid Formula: C16H15NO7S MolecularWeight: 365.3578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)C)C2COC3=C(O2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)C)[C@@H]2COC3=C(O2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c1-9-3-6-15(25(20,21)22)10(2)16(9)14-8-23-12-5-4-11(17(18)19)7-13(12)24-14/h3-7,14H,8H2,1-2H3,(H,20,21,22)/t14-/m0/s1