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(5-chloranyl-2,3-dihexoxy-4-oxidanyl-naphthalen-1-yl) octanoate

(5-chloranyl-2,3-dihexoxy-4-oxidanyl-naphthalen-1-yl) octanoate

Systemtic Name:(5-chloranyl-2,3-dihexoxy-4-oxidanyl-naphthalen-1-yl) octanoate
Openeye Name:(5-chloro-2,3-dihexoxy-4-hydroxy-1-naphthyl) octanoate
CAS Name:octanoic acid (5-chloro-2,3-dihexoxy-4-hydroxy-1-naphthalenyl) ester
IUPAC Name:(5-chloro-2,3-dihexoxy-4-hydroxynaphthalen-1-yl) octanoate
Traditional Name:caprylic acid (5-chloro-2,3-dihexoxy-4-hydroxy-1-naphthyl) ester
Formula: C30H45ClO5
MolecularWeight: 521.1283
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)O)OCCCCCC)OCCCCCC


Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)O)OCCCCCC)OCCCCCC


InChI

InChI=1S/C30H45ClO5/c1-4-7-10-13-14-20-25(32)36-28-23-18-17-19-24(31)26(23)27(33)29(34-21-15-11-8-5-2)30(28)35-22-16-12-9-6-3/h17-19,33H,4-16,20-22H2,1-3H3


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