[(E)-4-[7-methoxy-4-oxidanyl-5,8-bis(oxidanylidene)-3-pentanoyl-naphthalen-2-yl]but-2-enyl] ethanoate

Systemtic Name: [(E)-4-[7-methoxy-4-oxidanyl-5,8-bis(oxidanylidene)-3-pentanoyl-naphthalen-2-yl]but-2-enyl] ethanoate Openeye Name: [(E)-4-(4-hydroxy-7-methoxy-5,8-dioxo-3-pentanoyl-2-naphthyl)but-2-enyl] acetate CAS Name: acetic acid [(E)-4-[4-hydroxy-7-methoxy-5,8-dioxo-3-(1-oxopentyl)-2-naphthalenyl]but-2-enyl] ester IUPAC Name: [(E)-4-(4-hydroxy-7-methoxy-5,8-dioxo-3-pentanoylnaphthalen-2-yl)but-2-enyl] acetate Traditional Name: acetic acid [(E)-4-(4-hydroxy-5,8-diketo-7-methoxy-3-valeryl-2-naphthyl)but-2-enyl] ester Formula: C22H24O7 MolecularWeight: 400.42176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C=C(C2=O)OC)CC=CCOC(=O)C

Isomeric SMILES

CCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C=C(C2=O)OC)C/C=C/COC(=O)C

InChI

InChI=1S/C22H24O7/c1-4-5-9-16(24)19-14(8-6-7-10-29-13(2)23)11-15-20(22(19)27)17(25)12-18(28-3)21(15)26/h6-7,11-12,27H,4-5,8-10H2,1-3H3/b7-6+