[3-(3-methylbut-2-enyl)-1,4-bis(oxidanylidene)naphthalen-2-yl] dodecanoate

Systemtic Name: [3-(3-methylbut-2-enyl)-1,4-bis(oxidanylidene)naphthalen-2-yl] dodecanoate Openeye Name: [3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthyl] dodecanoate CAS Name: dodecanoic acid [3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthalenyl] ester IUPAC Name: [3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] dodecanoate Traditional Name: lauric acid [1,4-diketo-3-(3-methylbut-2-enyl)-2-naphthyl] ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)C

InChI

InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-11-12-17-24(28)31-27-23(19-18-20(2)3)25(29)21-15-13-14-16-22(21)26(27)30/h13-16,18H,4-12,17,19H2,1-3H3