3,7-dimethyloctyl benzoate; 2,6,10,15,19,23-hexamethyltetracosane

Systemtic Name: 3,7-dimethyloctyl benzoate; 2,6,10,15,19,23-hexamethyltetracosane Openeye Name: 3,7-dimethyloctyl benzoate; 2,6,10,15,19,23-hexamethyltetracosane CAS Name: benzoic acid 3,7-dimethyloctyl ester; 2,6,10,15,19,23-hexamethyltetracosane IUPAC Name: 3,7-dimethyloctyl benzoate; 2,6,10,15,19,23-hexamethyltetracosane Traditional Name: benzoic acid 3,7-dimethyloctyl ester; 2,6,10,15,19,23-hexamethyltetracosane Formula: C47H88O2 MolecularWeight: 685.20042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C.CC(C)CCCC(C)CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C.CC(C)CCCC(C)CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C30H62.C17H26O2/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h25-30H,9-24H2,1-8H3;4-6,10-11,14-15H,7-9,12-13H2,1-3H3