4-[(E)-4-[(4-methanoylphenoxy)methyl]-5-(4-oxidanylidene-2-phenyl-thiochromen-3-yl)pent-4-en-2-ynoxy]benzaldehyde

Systemtic Name: 4-[(E)-4-[(4-methanoylphenoxy)methyl]-5-(4-oxidanylidene-2-phenyl-thiochromen-3-yl)pent-4-en-2-ynoxy]benzaldehyde Openeye Name: 4-[(E)-4-[(4-formylphenoxy)methyl]-5-(4-oxo-2-phenyl-thiochromen-3-yl)pent-4-en-2-ynoxy]benzaldehyde CAS Name: 4-[(E)-4-[(4-formylphenoxy)methyl]-5-(4-oxo-2-phenyl-1-benzothiopyran-3-yl)pent-4-en-2-ynoxy]benzaldehyde IUPAC Name: 4-[(E)-4-[(4-formylphenoxy)methyl]-5-(4-oxo-2-phenylthiochromen-3-yl)pent-4-en-2-ynoxy]benzaldehyde Traditional Name: 4-[(E)-4-[(4-formylphenoxy)methyl]-5-(4-keto-2-phenyl-thiochromen-3-yl)pent-4-en-2-ynoxy]benzaldehyde Formula: C35H24O5S MolecularWeight: 556.62706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2)C=C(COC4=CC=C(C=C4)C=O)C#CCOC5=CC=C(C=C5)C=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2)/C=C(/COC4=CC=C(C=C4)C=O)\C#CCOC5=CC=C(C=C5)C=O

InChI

InChI=1S/C35H24O5S/c36-22-25-12-16-29(17-13-25)39-20-6-7-27(24-40-30-18-14-26(23-37)15-19-30)21-32-34(38)31-10-4-5-11-33(31)41-35(32)28-8-2-1-3-9-28/h1-5,8-19,21-23H,20,24H2/b27-21+