4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3-prop-2-enoxy-xanthen-9-one

Systemtic Name: 4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3-prop-2-enoxy-xanthen-9-one Openeye Name: 3-allyloxy-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]xanthen-9-one CAS Name: 4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-3-prop-2-enoxy-9-xanthenone IUPAC Name: 4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3-prop-2-enoxyxanthen-9-one Traditional Name: 3-allyloxy-4-[(E)-3-[4-(methylthio)phenyl]acryloyl]xanthone Formula: C26H20O4S MolecularWeight: 428.4996

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=C(C=CC3=C2OC4=CC=CC=C4C3=O)OCC=C

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC3=C2OC4=CC=CC=C4C3=O)OCC=C

InChI

InChI=1S/C26H20O4S/c1-3-16-29-23-15-13-20-25(28)19-6-4-5-7-22(19)30-26(20)24(23)21(27)14-10-17-8-11-18(31-2)12-9-17/h3-15H,1,16H2,2H3/b14-10+