1,8-bis[(2-azanyl-4-cycloheptyl-phenyl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis[(2-azanyl-4-cycloheptyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-cycloheptyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-cycloheptylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-cycloheptylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-cycloheptyl-phenyl)thio]-9,10-anthraquinone Formula: C40H42N2O2S2 MolecularWeight: 646.90368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=CC(=C(C=C2)SC3=CC=CC4=C3C(=O)C5=C(C4=O)C=CC=C5SC6=C(C=C(C=C6)C7CCCCCC7)N)N

Isomeric SMILES

C1CCCC(CC1)C2=CC(=C(C=C2)SC3=CC=CC4=C3C(=O)C5=C(C4=O)C=CC=C5SC6=C(C=C(C=C6)C7CCCCCC7)N)N

InChI

InChI=1S/C40H42N2O2S2/c41-31-23-27(25-11-5-1-2-6-12-25)19-21-33(31)45-35-17-9-15-29-37(35)40(44)38-30(39(29)43)16-10-18-36(38)46-34-22-20-28(24-32(34)42)26-13-7-3-4-8-14-26/h9-10,15-26H,1-8,11-14,41-42H2