propyl 7-[9,10-bis(oxidanylidene)anthracen-2-yl]-3,7-dimethyl-octanoate

Systemtic Name: propyl 7-[9,10-bis(oxidanylidene)anthracen-2-yl]-3,7-dimethyl-octanoate Openeye Name: propyl 7-(9,10-dioxo-2-anthryl)-3,7-dimethyl-octanoate CAS Name: 7-(9,10-dioxo-2-anthracenyl)-3,7-dimethyloctanoic acid propyl ester IUPAC Name: propyl 7-(9,10-dioxoanthracen-2-yl)-3,7-dimethyloctanoate Traditional Name: 7-(9,10-diketo-2-anthryl)-3,7-dimethyl-caprylic acid propyl ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCOC(=O)CC(C)CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C27H32O4/c1-5-15-31-24(28)16-18(2)9-8-14-27(3,4)19-12-13-22-23(17-19)26(30)21-11-7-6-10-20(21)25(22)29/h6-7,10-13,17-18H,5,8-9,14-16H2,1-4H3