7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 2,2-dimethylpropanoate

Systemtic Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 2,2-dimethylpropanoate Openeye Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester IUPAC Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester Formula: C25H24O2 MolecularWeight: 356.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1CCCC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)OC1CCCC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4

InChI

InChI=1S/C25H24O2/c1-25(2,3)24(26)27-21-9-5-8-18-19-13-12-16-7-4-6-15-10-11-17(14-20(18)21)23(19)22(15)16/h4,6-7,10-14,21H,5,8-9H2,1-3H3