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

Systemtic Name: 4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-2-prop-2-enoxy-xanthen-9-one Openeye Name: 2-allyloxy-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]xanthen-9-one CAS Name: 4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-2-prop-2-enoxy-9-xanthenone IUPAC Name: 4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-2-prop-2-enoxyxanthen-9-one Traditional Name: 2-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=C3C(=CC(=C2)OCC=C)C(=O)C4=CC=CC=C4O3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=C3C(=CC(=C2)OCC=C)C(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C26H20O4S/c1-3-14-29-18-15-21(23(27)13-10-17-8-11-19(31-2)12-9-17)26-22(16-18)25(28)20-6-4-5-7-24(20)30-26/h3-13,15-16H,1,14H2,2H3/b13-10+