(4-oxidanylidene-2-phenyl-chromen-3-yl) methanesulfonate tetrabenzoate

Systemtic Name: (4-oxidanylidene-2-phenyl-chromen-3-yl) methanesulfonate tetrabenzoate Openeye Name: (4-oxo-2-phenyl-chromen-3-yl) methanesulfonate tetrabenzoate CAS Name: methanesulfonic acid (4-oxo-2-phenyl-1-benzopyran-3-yl) ester tetrabenzoate IUPAC Name: (4-oxo-2-phenylchromen-3-yl) methanesulfonate tetrabenzoate Traditional Name: methanesulfonic acid (4-keto-2-phenyl-chromen-3-yl) ester tetrabenzoate Formula: C44H32O13S-4 MolecularWeight: 800.78208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C16H12O5S.4C7H6O2/c1-22(18,19)21-16-14(17)12-9-5-6-10-13(12)20-15(16)11-7-3-2-4-8-11;4*8-7(9)6-4-2-1-3-5-6/h2-10H,1H3;4*1-5H,(H,8,9)/p-4