3,3-bis(3,5-dimethyl-4-oxidanyl-phenyl)-1-hexadecyl-indol-2-one

Systemtic Name: 3,3-bis(3,5-dimethyl-4-oxidanyl-phenyl)-1-hexadecyl-indol-2-one Openeye Name: 1-hexadecyl-3,3-bis(4-hydroxy-3,5-dimethyl-phenyl)indolin-2-one CAS Name: 1-hexadecyl-3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-indolone IUPAC Name: 1-hexadecyl-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one Traditional Name: 1-cetyl-3,3-bis(4-hydroxy-3,5-dimethyl-phenyl)oxindole Formula: C40H55NO3 MolecularWeight: 597.8696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=O)(C3=CC(=C(C(=C3)C)O)C)C4=CC(=C(C(=C4)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=O)(C3=CC(=C(C(=C3)C)O)C)C4=CC(=C(C(=C4)C)O)C

InChI

InChI=1S/C40H55NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-41-36-23-20-19-22-35(36)40(39(41)44,33-25-29(2)37(42)30(3)26-33)34-27-31(4)38(43)32(5)28-34/h19-20,22-23,25-28,42-43H,6-18,21,24H2,1-5H3