6-methyl-5-(3-methylheptyl)-2,2-bis(oxidanylidene)-1,4,2-dioxathiepan-3-one

Systemtic Name: 6-methyl-5-(3-methylheptyl)-2,2-bis(oxidanylidene)-1,4,2-dioxathiepan-3-one Openeye Name: 6-methyl-5-(3-methylheptyl)-2,2-dioxo-1,4,2-dioxathiepan-3-one CAS Name: 6-methyl-5-(3-methylheptyl)-2,2-dioxo-1,4,2-dioxathiepan-3-one IUPAC Name: 6-methyl-5-(3-methylheptyl)-2,2-dioxo-1,4,2-dioxathiepan-3-one Traditional Name: 2,2-diketo-6-methyl-5-(3-methylheptyl)-1,4,2-dioxathiepan-3-one Formula: C13H24O5S MolecularWeight: 292.39166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCC1C(COS(=O)(=O)C(=O)O1)C

Isomeric SMILES

CCCCC(C)CCC1C(COS(=O)(=O)C(=O)O1)C

InChI

InChI=1S/C13H24O5S/c1-4-5-6-10(2)7-8-12-11(3)9-17-19(15,16)13(14)18-12/h10-12H,4-9H2,1-3H3