2-hexadecoxy-4-oxidanylidene-3,1-benzoxazine-6-sulfonic acid

Systemtic Name: 2-hexadecoxy-4-oxidanylidene-3,1-benzoxazine-6-sulfonic acid Openeye Name: 2-hexadecoxy-4-oxo-3,1-benzoxazine-6-sulfonic acid CAS Name: 2-hexadecoxy-4-oxo-3,1-benzoxazine-6-sulfonic acid IUPAC Name: 2-hexadecoxy-4-oxo-3,1-benzoxazine-6-sulfonic acid Traditional Name: 2-cetyloxy-4-keto-3,1-benzoxazine-6-sulfonic acid Formula: C24H37NO6S MolecularWeight: 467.61868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-24-25-22-17-16-20(32(27,28)29)19-21(22)23(26)31-24/h16-17,19H,2-15,18H2,1H3,(H,27,28,29)