5-ethyl-2,3,4-trimethyl-benzoic acid; 5-methyl-N-(phenoxymethyl)furan-2-sulfonamide

Systemtic Name: 5-ethyl-2,3,4-trimethyl-benzoic acid; 5-methyl-N-(phenoxymethyl)furan-2-sulfonamide Openeye Name: 5-ethyl-2,3,4-trimethyl-benzoic acid; 5-methyl-N-(phenoxymethyl)furan-2-sulfonamide CAS Name: 5-ethyl-2,3,4-trimethylbenzoic acid; 5-methyl-N-(phenoxymethyl)-2-furansulfonamide IUPAC Name: 5-ethyl-2,3,4-trimethylbenzoic acid; 5-methyl-N-(phenoxymethyl)furan-2-sulfonamide Traditional Name: 5-ethyl-2,3,4-trimethyl-benzoic acid; 5-methyl-N-(phenoxymethyl)furan-2-sulfonamide Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C(=O)O)C)C)C.CC1=CC=C(O1)S(=O)(=O)NCOC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C(=O)O)C)C)C.CC1=CC=C(O1)S(=O)(=O)NCOC2=CC=CC=C2

InChI

InChI=1S/C12H13NO4S.C12H16O2/c1-10-7-8-12(17-10)18(14,15)13-9-16-11-5-3-2-4-6-11;1-5-10-6-11(12(13)14)9(4)7(2)8(10)3/h2-8,13H,9H2,1H3;6H,5H2,1-4H3,(H,13,14)