(3S)-3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: (3S)-3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: (3S)-3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: (3S)-3-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: (3S)-3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: (3S)-3-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=O)[C@@H](C(=O)O1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H12O6/c1-9-6-12(18)15(16(19)22-9)11(17)4-2-10-3-5-13-14(7-10)21-8-20-13/h2-7,15H,8H2,1H3/b4-2+/t15-/m0/s1