2-hexadecoxy-6-sulfanyl-3,1-benzoxazin-4-one

Systemtic Name: 2-hexadecoxy-6-sulfanyl-3,1-benzoxazin-4-one Openeye Name: 2-hexadecoxy-6-sulfanyl-3,1-benzoxazin-4-one CAS Name: 2-hexadecoxy-6-mercapto-3,1-benzoxazin-4-one IUPAC Name: 2-hexadecoxy-6-sulfanyl-3,1-benzoxazin-4-one Traditional Name: 2-cetyloxy-6-mercapto-3,1-benzoxazin-4-one Formula: C24H37NO3S MolecularWeight: 419.62048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)S)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)S)C(=O)O1

InChI

InChI=1S/C24H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-24-25-22-17-16-20(29)19-21(22)23(26)28-24/h16-17,19,29H,2-15,18H2,1H3