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

Systemtic Name: 1,8-bis[(2-azanyl-4-heptadecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-heptadecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-heptadecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-heptadecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-heptadecyl-phenyl)thio]-9,10-anthraquinone Formula: C60H86N2O2S2 MolecularWeight: 931.46704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C60H86N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-47-41-43-53(51(61)45-47)65-55-39-33-37-49-57(55)60(64)58-50(59(49)63)38-34-40-56(58)66-54-44-42-48(46-52(54)62)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-46H,3-32,35-36,61-62H2,1-2H3