[7-methyl-8-(4-methyl-4-oxidanyl-pentyl)-1,4-bis(oxidanylidene)-3-propan-2-yl-naphthalen-2-yl] benzoate

Systemtic Name: [7-methyl-8-(4-methyl-4-oxidanyl-pentyl)-1,4-bis(oxidanylidene)-3-propan-2-yl-naphthalen-2-yl] benzoate Openeye Name: [8-(4-hydroxy-4-methyl-pentyl)-3-isopropyl-7-methyl-1,4-dioxo-2-naphthyl] benzoate CAS Name: benzoic acid [8-(4-hydroxy-4-methylpentyl)-7-methyl-1,4-dioxo-3-propan-2-yl-2-naphthalenyl] ester IUPAC Name: [8-(4-hydroxy-4-methylpentyl)-7-methyl-1,4-dioxo-3-propan-2-ylnaphthalen-2-yl] benzoate Traditional Name: benzoic acid [8-(4-hydroxy-4-methyl-pentyl)-3-isopropyl-1,4-diketo-7-methyl-2-naphthyl] ester Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C(=C(C2=O)OC(=O)C3=CC=CC=C3)C(C)C)CCCC(C)(C)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C(=C(C2=O)OC(=O)C3=CC=CC=C3)C(C)C)CCCC(C)(C)O

InChI

InChI=1S/C27H30O5/c1-16(2)21-23(28)20-14-13-17(3)19(12-9-15-27(4,5)31)22(20)24(29)25(21)32-26(30)18-10-7-6-8-11-18/h6-8,10-11,13-14,16,31H,9,12,15H2,1-5H3