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4-pyren-1-ylbutyl 3-cyclopentyl-3-methyl-butanoate

4-pyren-1-ylbutyl 3-cyclopentyl-3-methyl-butanoate

Systemtic Name:4-pyren-1-ylbutyl 3-cyclopentyl-3-methyl-butanoate
Openeye Name:4-pyren-1-ylbutyl 3-cyclopentyl-3-methyl-butanoate
CAS Name:3-cyclopentyl-3-methylbutanoic acid 4-(1-pyrenyl)butyl ester
IUPAC Name:4-pyren-1-ylbutyl 3-cyclopentyl-3-methylbutanoate
Traditional Name:3-cyclopentyl-3-methyl-butyric acid 4-pyren-1-ylbutyl ester
Formula: C30H29O2
MolecularWeight: 421.55006
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)[C]5[CH][CH][CH][CH]5


Isomeric SMILES

CC(C)(CC(=O)OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)[C]5[CH][CH][CH][CH]5


InChI

InChI=1S/C30H29O2/c1-30(2,25-11-3-4-12-25)20-27(31)32-19-6-5-8-21-13-14-24-16-15-22-9-7-10-23-17-18-26(21)29(24)28(22)23/h3-4,7,9-18H,5-6,8,19-20H2,1-2H3


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