(4-butoxy-2,3-dimethoxy-6-propan-2-yl-naphthalen-1-yl) octanoate

Systemtic Name: (4-butoxy-2,3-dimethoxy-6-propan-2-yl-naphthalen-1-yl) octanoate Openeye Name: (4-butoxy-6-isopropyl-2,3-dimethoxy-1-naphthyl) octanoate CAS Name: octanoic acid (4-butoxy-2,3-dimethoxy-6-propan-2-yl-1-naphthalenyl) ester IUPAC Name: (4-butoxy-2,3-dimethoxy-6-propan-2-ylnaphthalen-1-yl) octanoate Traditional Name: caprylic acid (4-butoxy-6-isopropyl-2,3-dimethoxy-1-naphthyl) ester Formula: C27H40O5 MolecularWeight: 444.6035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)C(C)C)OCCCC)OC)OC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)C(C)C)OCCCC)OC)OC

InChI

InChI=1S/C27H40O5/c1-7-9-11-12-13-14-23(28)32-25-21-16-15-20(19(3)4)18-22(21)24(31-17-10-8-2)26(29-5)27(25)30-6/h15-16,18-19H,7-14,17H2,1-6H3