2-[cyclopropyl(phenyl)methyl]-3-oxidanyl-4-oxa-8-azaspiro[4.5]dec-2-en-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[cyclopropyl(phenyl)methyl]-3-oxidanyl-4-oxa-8-azaspiro[4.5]dec-2-en-1-one; 4-methylbenzenesulfonic acid Openeye Name: 2-[cyclopropyl(phenyl)methyl]-3-hydroxy-4-oxa-8-azaspiro[4.5]dec-2-en-1-one; 4-methylbenzenesulfonic acid CAS Name: 2-[cyclopropyl(phenyl)methyl]-3-hydroxy-4-oxa-8-azaspiro[4.5]dec-2-en-1-one; 4-methylbenzenesulfonic acid IUPAC Name: 2-[cyclopropyl(phenyl)methyl]-3-hydroxy-4-oxa-8-azaspiro[4.5]dec-2-en-1-one; 4-methylbenzenesulfonic acid Traditional Name: 2-[cyclopropyl(phenyl)methyl]-3-hydroxy-4-oxa-8-azaspiro[4.5]dec-2-en-1-one; tosylic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC1C(C2=CC=CC=C2)C3=C(OC4(C3=O)CCNCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC1C(C2=CC=CC=C2)C3=C(OC4(C3=O)CCNCC4)O

InChI

InChI=1S/C18H21NO3.C7H8O3S/c20-16-15(17(21)22-18(16)8-10-19-11-9-18)14(13-6-7-13)12-4-2-1-3-5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,13-14,19,21H,6-11H2;2-5H,1H3,(H,8,9,10)