2-[9-oxidanyl-5,10-bis(oxidanylidene)-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid

Systemtic Name: 2-[9-oxidanyl-5,10-bis(oxidanylidene)-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid Openeye Name: 2-(9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid CAS Name: 2-(9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl)acetic acid IUPAC Name: 2-(9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid Traditional Name: 2-(9-hydroxy-5,10-diketo-1-propyl-3,4-dihydro-1H-benz[g]isochromen-3-yl)acetic acid Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O

Isomeric SMILES

CCCC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O

InChI

InChI=1S/C18H18O6/c1-2-4-13-16-11(7-9(24-13)8-14(20)21)17(22)10-5-3-6-12(19)15(10)18(16)23/h3,5-6,9,13,19H,2,4,7-8H2,1H3,(H,20,21)