2,7-dihexyl-10b,10c-dimethyl-5,10-bis(oxidanyl)pyrene-4,9-dione

Systemtic Name: 2,7-dihexyl-10b,10c-dimethyl-5,10-bis(oxidanyl)pyrene-4,9-dione Openeye Name: 2,7-dihexyl-5,10-dihydroxy-10b,10c-dimethyl-pyrene-4,9-dione CAS Name: 2,7-dihexyl-5,10-dihydroxy-10b,10c-dimethylpyrene-4,9-dione IUPAC Name: 2,7-dihexyl-5,10-dihydroxy-10b,10c-dimethylpyrene-4,9-dione Traditional Name: 2,7-dihexyl-5,10-dihydroxy-10b,10c-dimethyl-pyrene-4,9-quinone Formula: C30H38O4 MolecularWeight: 462.62032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C(=O)C3=CC(=CC4=C(C(=O)C(=C1)C2(C34C)C)O)CCCCCC)O

Isomeric SMILES

CCCCCCC1=CC2=C(C(=O)C3=CC(=CC4=C(C(=O)C(=C1)C2(C34C)C)O)CCCCCC)O

InChI

InChI=1S/C30H38O4/c1-5-7-9-11-13-19-15-21-25(31)27(33)23-17-20(14-12-10-8-6-2)18-24-28(34)26(32)22(16-19)29(21,3)30(23,24)4/h15-18,31,34H,5-14H2,1-4H3