[1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-4-oxidanyl-pentyl] 3-methylbut-2-enoate

Systemtic Name: [1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-4-oxidanyl-pentyl] 3-methylbut-2-enoate Openeye Name: [1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-hydroxy-4-methyl-pentyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-hydroxy-4-methylpentyl] ester IUPAC Name: [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-hydroxy-4-methyl-pentyl] ester Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC(CCC(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C

Isomeric SMILES

CC(=CC(=O)OC(CCC(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C

InChI

InChI=1S/C21H24O7/c1-11(2)9-17(25)28-16(7-8-21(3,4)27)12-10-15(24)18-13(22)5-6-14(23)19(18)20(12)26/h5-6,9-10,16,22-23,27H,7-8H2,1-4H3