octadecyl 5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-2-propan-2-yl-hexanoate

Systemtic Name: octadecyl 5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-2-propan-2-yl-hexanoate Openeye Name: octadecyl 5-(9,10-dioxo-2-anthryl)-2-isopropyl-5-methyl-hexanoate CAS Name: 5-(9,10-dioxo-2-anthracenyl)-5-methyl-2-propan-2-ylhexanoic acid octadecyl ester IUPAC Name: octadecyl 5-(9,10-dioxoanthracen-2-yl)-5-methyl-2-propan-2-ylhexanoate Traditional Name: 5-(9,10-diketo-2-anthryl)-2-isopropyl-5-methyl-hexanoic acid stearyl ester Formula: C42H62O4 MolecularWeight: 630.93928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(C)C

InChI

InChI=1S/C42H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-46-41(45)34(32(2)3)28-29-42(4,5)33-26-27-37-38(31-33)40(44)36-25-22-21-24-35(36)39(37)43/h21-22,24-27,31-32,34H,6-20,23,28-30H2,1-5H3