(7-methoxycarbonyl-10-oxidanyl-henicosan-8-yl) benzoate

Systemtic Name: (7-methoxycarbonyl-10-oxidanyl-henicosan-8-yl) benzoate Openeye Name: [3-hydroxy-1-(1-methoxycarbonylheptyl)tetradecyl] benzoate CAS Name: benzoic acid (10-hydroxy-7-methoxycarbonylheneicosan-8-yl) ester IUPAC Name: (10-hydroxy-7-methoxycarbonylhenicosan-8-yl) benzoate Traditional Name: benzoic acid [1-(1-carbomethoxyheptyl)-3-hydroxy-tetradecyl] ester Formula: C30H50O5 MolecularWeight: 490.715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OC)OC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OC)OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C30H50O5/c1-4-6-8-10-11-12-13-14-18-22-26(31)24-28(35-29(32)25-20-16-15-17-21-25)27(30(33)34-3)23-19-9-7-5-2/h15-17,20-21,26-28,31H,4-14,18-19,22-24H2,1-3H3