2-butyltridecanoic acid; 1,3,4-oxathiazinan-2-one

Systemtic Name: 2-butyltridecanoic acid; 1,3,4-oxathiazinan-2-one Openeye Name: 2-butyltridecanoic acid; 1,3,4-oxathiazinan-2-one CAS Name: 2-butyltridecanoic acid; 1,3,4-oxathiazinan-2-one IUPAC Name: 2-butyltridecanoic acid; 1,3,4-oxathiazinan-2-one Traditional Name: 2-butyltridecanoic acid; 1,3,4-oxathiazinan-2-one Formula: C20H39NO4S MolecularWeight: 389.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCC)C(=O)O.C1COC(=O)SN1

Isomeric SMILES

CCCCCCCCCCCC(CCCC)C(=O)O.C1COC(=O)SN1

InChI

InChI=1S/C17H34O2.C3H5NO2S/c1-3-5-7-8-9-10-11-12-13-15-16(17(18)19)14-6-4-2;5-3-6-2-1-4-7-3/h16H,3-15H2,1-2H3,(H,18,19);4H,1-2H2