3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C17H12O5 MolecularWeight: 296.27418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(C(=O)C=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=C(C(=O)C=CC=C3)O

InChI

InChI=1S/C17H12O5/c18-13(12-3-1-2-4-14(19)17(12)20)7-5-11-6-8-15-16(9-11)22-10-21-15/h1-9H,10H2,(H,19,20)/b7-5+