(7-chloranyl-4-octanoyloxy-3-propan-2-yloxy-naphthalen-1-yl) octanoate

Systemtic Name: (7-chloranyl-4-octanoyloxy-3-propan-2-yloxy-naphthalen-1-yl) octanoate Openeye Name: (7-chloro-3-isopropoxy-4-octanoyloxy-1-naphthyl) octanoate CAS Name: octanoic acid [7-chloro-4-(1-oxooctoxy)-3-propan-2-yloxy-1-naphthalenyl] ester IUPAC Name: (7-chloro-4-octanoyloxy-3-propan-2-yloxynaphthalen-1-yl) octanoate Traditional Name: caprylic acid (4-caprylyloxy-7-chloro-3-isopropoxy-1-naphthyl) ester Formula: C29H41ClO5 MolecularWeight: 505.08584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC(=C(C2=C1C=C(C=C2)Cl)OC(=O)CCCCCCC)OC(C)C

Isomeric SMILES

CCCCCCCC(=O)OC1=CC(=C(C2=C1C=C(C=C2)Cl)OC(=O)CCCCCCC)OC(C)C

InChI

InChI=1S/C29H41ClO5/c1-5-7-9-11-13-15-27(31)34-25-20-26(33-21(3)4)29(23-18-17-22(30)19-24(23)25)35-28(32)16-14-12-10-8-6-2/h17-21H,5-16H2,1-4H3