3-oxidanylpropyl 4-bromanyl-2-methyl-5-(3-oxidanylpropylsulfonyl)benzoate

Systemtic Name: 3-oxidanylpropyl 4-bromanyl-2-methyl-5-(3-oxidanylpropylsulfonyl)benzoate Openeye Name: 3-hydroxypropyl 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methyl-benzoate CAS Name: 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methylbenzoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methylbenzoate Traditional Name: 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methyl-benzoic acid 3-hydroxypropyl ester Formula: C14H19BrO6S MolecularWeight: 395.26606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OCCCO)S(=O)(=O)CCCO)Br

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OCCCO)S(=O)(=O)CCCO)Br

InChI

InChI=1S/C14H19BrO6S/c1-10-8-12(15)13(22(19,20)7-3-5-17)9-11(10)14(18)21-6-2-4-16/h8-9,16-17H,2-7H2,1H3