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

Systemtic Name: 1,8-bis[(2-azanyl-4-dodecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-dodecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-dodecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-dodecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-lauryl-phenyl)thio]-9,10-anthraquinone Formula: C50H66N2O2S2 MolecularWeight: 791.20124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCC)N)N

InChI

InChI=1S/C50H66N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-25-37-31-33-43(41(51)35-37)55-45-29-23-27-39-47(45)50(54)48-40(49(39)53)28-24-30-46(48)56-44-34-32-38(36-42(44)52)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-36H,3-22,25-26,51-52H2,1-2H3