12-[1,9,10,11,12-pentakis(12-oxidanyl-12-oxidanylidene-dodecyl)triphenylen-2-yl]dodecanoic acid

Systemtic Name: 12-[1,9,10,11,12-pentakis(12-oxidanyl-12-oxidanylidene-dodecyl)triphenylen-2-yl]dodecanoic acid Openeye Name: 12-[1,9,10,11,12-pentakis(12-hydroxy-12-oxo-dodecyl)triphenylen-2-yl]dodecanoic acid CAS Name: 12-[1,9,10,11,12-pentakis(12-hydroxy-12-oxododecyl)-2-triphenylenyl]dodecanoic acid IUPAC Name: 12-[1,9,10,11,12-pentakis(12-hydroxy-12-oxododecyl)triphenylen-2-yl]dodecanoic acid Traditional Name: 12-[1,9,10,11,12-pentakis(12-hydroxy-12-keto-dodecyl)triphenylen-2-yl]lauric acid Formula: C90H144O12 MolecularWeight: 1418.09916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C(=C(C=C3)CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)C4=C2C(=C(C(=C4CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C(=C(C=C3)CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)C4=C2C(=C(C(=C4CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C90H144O12/c91-82(92)65-49-37-25-13-1-7-19-31-43-57-73-71-72-81-77-61-55-56-64-79(77)89-78(62-47-35-23-11-5-17-29-41-53-69-86(99)100)75(59-45-33-21-9-3-15-27-39-51-67-84(95)96)76(60-46-34-22-10-4-16-28-40-52-68-85(97)98)80(63-48-36-24-12-6-18-30-42-54-70-87(101)102)90(89)88(81)74(73)58-44-32-20-8-2-14-26-38-50-66-83(93)94/h55-56,61,64,71-72H,1-54,57-60,62-63,65-70H2,(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)