7-chloranyl-2-(4-heptoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 7-chloranyl-2-(4-heptoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 7-chloro-2-(4-heptoxyphenyl)-1,5-dihydroxy-anthracene-9,10-dione CAS Name: 7-chloro-2-(4-heptoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione IUPAC Name: 7-chloro-2-(4-heptoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione Traditional Name: 7-chloro-2-(4-heptoxyphenyl)-1,5-dihydroxy-9,10-anthraquinone Formula: C27H25ClO5 MolecularWeight: 464.9374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C3=C(C=C2)C(=O)C4=C(C=C(C=C4C3=O)Cl)O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C3=C(C=C2)C(=O)C4=C(C=C(C=C4C3=O)Cl)O)O

InChI

InChI=1S/C27H25ClO5/c1-2-3-4-5-6-13-33-18-9-7-16(8-10-18)19-11-12-20-24(25(19)30)27(32)21-14-17(28)15-22(29)23(21)26(20)31/h7-12,14-15,29-30H,2-6,13H2,1H3