(7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate

Systemtic Name: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate Openeye Name: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate CAS Name: nonanoic acid (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester IUPAC Name: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate Traditional Name: pelargonic acid (7-amyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester Formula: C28H50O2 MolecularWeight: 418.6954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCCCC

InChI

InChI=1S/C28H50O2/c1-3-5-7-8-9-11-13-28(29)30-25-17-19-27-24(21-25)16-15-23-20-22(12-10-6-4-2)14-18-26(23)27/h22-27H,3-21H2,1-2H3