[4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecoxybenzoate

Systemtic Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecoxybenzoate Openeye Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecoxybenzoate CAS Name: 4-octadecoxybenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecoxybenzoate Traditional Name: 4-stearyloxybenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester Formula: C43H62O3 MolecularWeight: 626.95058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCC(C)CC

InChI

InChI=1S/C43H62O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-45-41-31-29-40(30-32-41)43(44)46-42-33-27-39(28-34-42)38-25-23-37(24-26-38)22-21-36(3)5-2/h23-34,36H,4-22,35H2,1-3H3