4-[2-(4-methylphenyl)sulfonylethoxy]-5-nitro-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-(4-methylphenyl)sulfonylethoxy]-5-nitro-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-nitro-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]-5-nitrobenzoic acid IUPAC Name: 2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]-5-nitrobenzoic acid Traditional Name: 2-hydroxy-5-nitro-4-(2-tosylethoxy)benzoic acid Formula: C16H15NO8S MolecularWeight: 381.3572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C=C(C(=C2)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C=C(C(=C2)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO8S/c1-10-2-4-11(5-3-10)26(23,24)7-6-25-15-9-14(18)12(16(19)20)8-13(15)17(21)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)