methyl 4-chloranyl-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxysulfonyl]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxysulfonyl]benzoate Openeye Name: methyl 4-chloro-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxysulfonyl]benzoate CAS Name: 4-chloro-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxysulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxysulfonyl]benzoate Traditional Name: 4-chloro-3-(2,2-dimethylcoumaran-7-yl)oxysulfonyl-benzoic acid methyl ester Formula: C18H17ClO6S MolecularWeight: 396.84198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)Cl)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)Cl)C

InChI

InChI=1S/C18H17ClO6S/c1-18(2)10-12-5-4-6-14(16(12)24-18)25-26(21,22)15-9-11(17(20)23-3)7-8-13(15)19/h4-9H,10H2,1-3H3