3-[bis[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]sulfonio]-4-oxidanylidene-chromen-2-olate

Systemtic Name: 3-[bis[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]sulfonio]-4-oxidanylidene-chromen-2-olate Openeye Name: 3-[bis[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]sulfonio]-4-oxo-chromen-2-olate CAS Name: 3-[bis[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]sulfonio]-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-[bis[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]sulfonio]-4-oxochromen-2-olate Traditional Name: 3-[bis[2-(3,4,5-trimethoxybenzyl)oxyethyl]sulfonio]-4-keto-chromen-2-olate Formula: C33H38O11S MolecularWeight: 642.71322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COCC[S+](CCOCC2=CC(=C(C(=C2)OC)OC)OC)C3=C(OC4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COCC[S+](CCOCC2=CC(=C(C(=C2)OC)OC)OC)C3=C(OC4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C33H38O11S/c1-36-25-15-21(16-26(37-2)30(25)40-5)19-42-11-13-45(32-29(34)23-9-7-8-10-24(23)44-33(32)35)14-12-43-20-22-17-27(38-3)31(41-6)28(18-22)39-4/h7-10,15-18H,11-14,19-20H2,1-6H3