[4-[4-[(2S,3S)-1-carboxyoxy-2-chloranyl-3-methyl-pentyl]phenyl]phenyl] nonanoate

Systemtic Name: [4-[4-[(2S,3S)-1-carboxyoxy-2-chloranyl-3-methyl-pentyl]phenyl]phenyl] nonanoate Openeye Name: [4-[4-[(2S,3S)-1-carboxyoxy-2-chloro-3-methyl-pentyl]phenyl]phenyl] nonanoate CAS Name: nonanoic acid [4-[4-[(2S,3S)-1-carboxyoxy-2-chloro-3-methylpentyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[(2S,3S)-1-carboxyoxy-2-chloro-3-methylpentyl]phenyl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[4-[(2S,3S)-1-carboxyoxy-2-chloro-3-methyl-pentyl]phenyl]phenyl] ester Formula: C28H37ClO5 MolecularWeight: 489.04338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C(C)CC)Cl)OC(=O)O

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C([C@H]([C@@H](C)CC)Cl)OC(=O)O

InChI

InChI=1S/C28H37ClO5/c1-4-6-7-8-9-10-11-25(30)33-24-18-16-22(17-19-24)21-12-14-23(15-13-21)27(34-28(31)32)26(29)20(3)5-2/h12-20,26-27H,4-11H2,1-3H3,(H,31,32)/t20-,26-,27?/m0/s1