3-heptyl-2-octyl-oxane; isoquinoline

Systemtic Name: 3-heptyl-2-octyl-oxane; isoquinoline Openeye Name: 3-heptyl-2-octyl-tetrahydropyran; isoquinoline CAS Name: 3-heptyl-2-octyloxane; isoquinoline IUPAC Name: 3-heptyl-2-octyloxane; isoquinoline Traditional Name: 3-heptyl-2-octyl-tetrahydropyran; isoquinoline Formula: C29H47NO MolecularWeight: 425.68958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CCCO1)CCCCCCC.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CCCCCCCCC1C(CCCO1)CCCCCCC.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C20H40O.C9H7N/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2;1-2-4-9-7-10-6-5-8(9)3-1/h19-20H,3-18H2,1-2H3;1-7H