2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methyl-benzoic acid; 5-methyl-N-(2-methyl-2-oxidanyl-propyl)furan-2-sulfonamide

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methyl-benzoic acid; 5-methyl-N-(2-methyl-2-oxidanyl-propyl)furan-2-sulfonamide Openeye Name: N-(2-hydroxy-2-methyl-propyl)-5-methyl-furan-2-sulfonamide; 2-(indan-5-yloxymethyl)-3-methyl-benzoic acid CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylbenzoic acid; N-(2-hydroxy-2-methylpropyl)-5-methyl-2-furansulfonamide IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylbenzoic acid; N-(2-hydroxy-2-methylpropyl)-5-methylfuran-2-sulfonamide Traditional Name: N-(2-hydroxy-2-methyl-propyl)-5-methyl-furan-2-sulfonamide; 2-(indan-5-yloxymethyl)-3-methyl-benzoic acid Formula: C27H33NO7S MolecularWeight: 515.61842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1COC2=CC3=C(CCC3)C=C2)C(=O)O.CC1=CC=C(O1)S(=O)(=O)NCC(C)(C)O

Isomeric SMILES

CC1=CC=CC(=C1COC2=CC3=C(CCC3)C=C2)C(=O)O.CC1=CC=C(O1)S(=O)(=O)NCC(C)(C)O

InChI

InChI=1S/C18H18O3.C9H15NO4S/c1-12-4-2-7-16(18(19)20)17(12)11-21-15-9-8-13-5-3-6-14(13)10-15;1-7-4-5-8(14-7)15(12,13)10-6-9(2,3)11/h2,4,7-10H,3,5-6,11H2,1H3,(H,19,20);4-5,10-11H,6H2,1-3H3