2-[12-methyl-4-(phenylmethyl)tridecan-4-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[12-methyl-4-(phenylmethyl)tridecan-4-yl]oxycarbonylbenzoic acid Openeye Name: 2-(1-benzyl-9-methyl-1-propyl-decoxy)carbonylbenzoic acid CAS Name: 2-[[12-methyl-4-(phenylmethyl)tridecan-4-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-(4-benzyl-12-methyltridecan-4-yl)oxycarbonylbenzoic acid Traditional Name: 2-(1-benzyl-9-methyl-1-propyl-decoxy)carbonylbenzoic acid Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCC(C)C)(CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC(CCCCCCCC(C)C)(CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C29H40O4/c1-4-20-29(22-24-16-10-8-11-17-24,21-14-7-5-6-9-15-23(2)3)33-28(32)26-19-13-12-18-25(26)27(30)31/h8,10-13,16-19,23H,4-7,9,14-15,20-22H2,1-3H3,(H,30,31)