[4-[4-(8-prop-2-enoxyoctoxy)phenyl]phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-[4-(8-prop-2-enoxyoctoxy)phenyl]phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-[4-(8-allyloxyoctoxy)phenyl]phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-[4-(8-prop-2-enoxyoctoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(8-prop-2-enoxyoctoxy)phenyl]phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-[4-(8-allyloxyoctoxy)phenyl]phenyl] ester Formula: C29H39ClO4 MolecularWeight: 487.07056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCOCC=C)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCOCC=C)Cl

InChI

InChI=1S/C29H39ClO4/c1-4-20-32-21-10-8-6-7-9-11-22-33-26-16-12-24(13-17-26)25-14-18-27(19-15-25)34-29(31)28(30)23(3)5-2/h4,12-19,23,28H,1,5-11,20-22H2,2-3H3