[4-(4-dodecoxyphenyl)phenyl] 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate

Systemtic Name: [4-(4-dodecoxyphenyl)phenyl] 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: [4-(4-dodecoxyphenyl)phenyl] 2-hexylchromane-6-carboxylate CAS Name: 2-hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid [4-(4-dodecoxyphenyl)phenyl] ester IUPAC Name: [4-(4-dodecoxyphenyl)phenyl] 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 2-hexylchroman-6-carboxylic acid [4-(4-lauryloxyphenyl)phenyl] ester Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OC(CC4)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OC(CC4)CCCCCC

InChI

InChI=1S/C40H54O4/c1-3-5-7-9-10-11-12-13-14-16-30-42-36-24-18-32(19-25-36)33-20-26-38(27-21-33)44-40(41)35-23-29-39-34(31-35)22-28-37(43-39)17-15-8-6-4-2/h18-21,23-27,29,31,37H,3-17,22,28,30H2,1-2H3