[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] benzoate

Systemtic Name: [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] benzoate Openeye Name: [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] benzoate CAS Name: benzoic acid [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] benzoate Traditional Name: benzoic acid [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] ester Formula: C33H48O3 MolecularWeight: 492.73242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C33H48O3/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-22-33(5)23-21-29-24-30(19-20-31(29)36-33)35-32(34)28-17-7-6-8-18-28/h6-8,17-20,24-27H,9-16,21-23H2,1-5H3