2-[(6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-3-oxidanyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-3-oxidanyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(6E,10E,14E,18E,22E)-3-hydroxy-3,7,11,15,19,23,27-heptamethyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone CAS Name: 2-[(6E,10E,14E,18E,22E)-3-hydroxy-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(6E,10E,14E,18E,22E)-3-hydroxy-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(6E,10E,14E,18E,22E)-3-hydroxy-3,7,11,15,19,23,27-heptamethyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C44H68O5 MolecularWeight: 677.00772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC(C)(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC(C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O

InChI

InChI=1S/C44H68O5/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-30-44(9,47)31-29-39-38(8)40(45)42(48-10)43(49-11)41(39)46/h18,20,22,24,26,28,47H,12-17,19,21,23,25,27,29-31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+