dodecyl 3-[9,10-bis(oxidanylidene)anthracen-2-yl]-3-methyl-butanoate

Systemtic Name: dodecyl 3-[9,10-bis(oxidanylidene)anthracen-2-yl]-3-methyl-butanoate Openeye Name: dodecyl 3-(9,10-dioxo-2-anthryl)-3-methyl-butanoate CAS Name: 3-(9,10-dioxo-2-anthracenyl)-3-methylbutanoic acid dodecyl ester IUPAC Name: dodecyl 3-(9,10-dioxoanthracen-2-yl)-3-methylbutanoate Traditional Name: 3-(9,10-diketo-2-anthryl)-3-methyl-butyric acid lauryl ester Formula: C31H40O4 MolecularWeight: 476.6469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C31H40O4/c1-4-5-6-7-8-9-10-11-12-15-20-35-28(32)22-31(2,3)23-18-19-26-27(21-23)30(34)25-17-14-13-16-24(25)29(26)33/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3