[4-[4-(1-butoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate

Systemtic Name: [4-[4-(1-butoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate Openeye Name: [4-[4-(1-butoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate CAS Name: 4-pentadecoxybenzoic acid [4-[4-(1-butoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-butoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate Traditional Name: 4-pentadecoxybenzoic acid [4-[4-(1-butoxyethyl)phenyl]phenyl] ester Formula: C40H56O4 MolecularWeight: 600.87024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCC

InChI

InChI=1S/C40H56O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-32-43-38-27-25-37(26-28-38)40(41)44-39-29-23-36(24-30-39)35-21-19-34(20-22-35)33(3)42-31-7-5-2/h19-30,33H,4-18,31-32H2,1-3H3