5-[13-(3-methanoyl-4-oxidanyl-5-propan-2-yl-phenyl)tridecyl]-2-oxidanyl-3-phenyl-benzaldehyde

Systemtic Name: 5-[13-(3-methanoyl-4-oxidanyl-5-propan-2-yl-phenyl)tridecyl]-2-oxidanyl-3-phenyl-benzaldehyde Openeye Name: 5-[13-(3-formyl-4-hydroxy-5-isopropyl-phenyl)tridecyl]-2-hydroxy-3-phenyl-benzaldehyde CAS Name: 5-[13-(3-formyl-4-hydroxy-5-propan-2-ylphenyl)tridecyl]-2-hydroxy-3-phenylbenzaldehyde IUPAC Name: 5-[13-(3-formyl-4-hydroxy-5-propan-2-ylphenyl)tridecyl]-2-hydroxy-3-phenylbenzaldehyde Traditional Name: 5-[13-(3-formyl-4-hydroxy-5-isopropyl-phenyl)tridecyl]-2-hydroxy-3-phenyl-benzaldehyde Formula: C36H46O4 MolecularWeight: 542.74804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)CCCCCCCCCCCCCC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C=O)C=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)CCCCCCCCCCCCCC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C=O)C=O)O

InChI

InChI=1S/C36H46O4/c1-27(2)33-23-28(21-31(25-37)35(33)39)17-13-10-8-6-4-3-5-7-9-11-14-18-29-22-32(26-38)36(40)34(24-29)30-19-15-12-16-20-30/h12,15-16,19-27,39-40H,3-11,13-14,17-18H2,1-2H3