4-methylbenzenesulfinic acid; 3-(oxan-4-yl)azetidine

Systemtic Name: 4-methylbenzenesulfinic acid; 3-(oxan-4-yl)azetidine Openeye Name: 4-methylbenzenesulfinic acid; 3-tetrahydropyran-4-ylazetidine CAS Name: 4-methylbenzenesulfinic acid; 3-(4-oxanyl)azetidine IUPAC Name: 4-methylbenzenesulfinic acid; 3-(oxan-4-yl)azetidine Traditional Name: 4-methylbenzenesulfinic acid; 3-tetrahydropyran-4-ylazetidine Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)O.C1COCCC1C2CNC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)O.C1COCCC1C2CNC2

InChI

InChI=1S/C8H15NO.C7H8O2S/c1-3-10-4-2-7(1)8-5-9-6-8;1-6-2-4-7(5-3-6)10(8)9/h7-9H,1-6H2;2-5H,1H3,(H,8,9)