[7-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoyloxy]-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate

Systemtic Name: [7-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoyloxy]-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate Openeye Name: [7-[2-(2-isopropyl-5-methyl-cyclohexoxy)acetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(2-isopropyl-5-methyl-cyclohexoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid [7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-oxoethoxy]-7,8-dihydrobenzo[a]pyren-8-yl] ester IUPAC Name: [7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate Traditional Name: 2-(2-isopropyl-5-methyl-cyclohexoxy)acetic acid [7-[2-(2-isopropyl-5-methyl-cyclohexoxy)acetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] ester Formula: C44H54O6 MolecularWeight: 678.89596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)OC2C=CC3=C(C2OC(=O)COC4CC(CCC4C(C)C)C)C=C5C=CC6=C7C5=C3C=CC7=CC=C6)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OCC(=O)OC2C=CC3=C(C2OC(=O)COC4CC(CCC4C(C)C)C)C=C5C=CC6=C7C5=C3C=CC7=CC=C6)C(C)C

InChI

InChI=1S/C44H54O6/c1-25(2)32-15-10-27(5)20-38(32)47-23-40(45)49-37-19-18-34-35-17-14-30-9-7-8-29-12-13-31(43(35)42(29)30)22-36(34)44(37)50-41(46)24-48-39-21-28(6)11-16-33(39)26(3)4/h7-9,12-14,17-19,22,25-28,32-33,37-39,44H,10-11,15-16,20-21,23-24H2,1-6H3