(8-bromanyl-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl) 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate

Systemtic Name: (8-bromanyl-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl) 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate Openeye Name: (8-bromo-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl) 2-(2-isopropyl-5-methyl-cyclohexoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid (8-bromo-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl) ester IUPAC Name: (8-bromo-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl) 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate Traditional Name: 2-(2-isopropyl-5-methyl-cyclohexoxy)acetic acid (8-bromo-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl) ester Formula: C32H35BrO3 MolecularWeight: 547.5225

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)OC2C(CCC3=C2C=C4C=CC5=C6C4=C3C=CC6=CC=C5)Br)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OCC(=O)OC2C(CCC3=C2C=C4C=CC5=C6C4=C3C=CC6=CC=C5)Br)C(C)C

InChI

InChI=1S/C32H35BrO3/c1-18(2)23-11-7-19(3)15-28(23)35-17-29(34)36-32-26-16-22-9-8-20-5-4-6-21-10-12-25(31(22)30(20)21)24(26)13-14-27(32)33/h4-6,8-10,12,16,18-19,23,27-28,32H,7,11,13-15,17H2,1-3H3