(3E)-3-(3H-1,3-benzoxazol-2-ylidene)chromene-2,7-dione phosphate

Systemtic Name: (3E)-3-(3H-1,3-benzoxazol-2-ylidene)chromene-2,7-dione phosphate Openeye Name: (3E)-3-(3H-1,3-benzoxazol-2-ylidene)chromene-2,7-dione phosphate CAS Name: (3E)-3-(3H-1,3-benzoxazol-2-ylidene)-1-benzopyran-2,7-dione phosphate IUPAC Name: (3E)-3-(3H-1,3-benzoxazol-2-ylidene)chromene-2,7-dione phosphate Traditional Name: (3E)-3-(3H-1,3-benzoxazol-2-ylidene)chromene-2,7-quinone phosphate Formula: C16H9NO8P-3 MolecularWeight: 374.218321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C4C=CC(=O)C=C4OC3=O)O2.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=C4C=CC(=O)C=C4OC3=O)/O2.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C16H9NO4.H3O4P/c18-10-6-5-9-7-11(16(19)21-14(9)8-10)15-17-12-3-1-2-4-13(12)20-15;1-5(2,3)4/h1-8,17H;(H3,1,2,3,4)/p-3/b15-11+;