2-hexadecoxy-2-methyl-1,3-benzodioxin-4-one

Systemtic Name: 2-hexadecoxy-2-methyl-1,3-benzodioxin-4-one Openeye Name: 2-hexadecoxy-2-methyl-1,3-benzodioxin-4-one CAS Name: 2-hexadecoxy-2-methyl-1,3-benzodioxin-4-one IUPAC Name: 2-hexadecoxy-2-methyl-1,3-benzodioxin-4-one Traditional Name: 2-cetyloxy-2-methyl-1,3-benzodioxin-4-one Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1(OC2=CC=CC=C2C(=O)O1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1(OC2=CC=CC=C2C(=O)O1)C

InChI

InChI=1S/C25H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-25(2)28-23-20-17-16-19-22(23)24(26)29-25/h16-17,19-20H,3-15,18,21H2,1-2H3