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

Systemtic Name: 1,8-bis[(2-azanyl-4-hexadecoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-hexadecoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-hexadecoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-hexadecoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-cetyloxy-phenyl)thio]-9,10-anthraquinone Formula: C58H82N2O4S2 MolecularWeight: 935.41268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C58H82N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41-63-45-37-39-51(49(59)43-45)65-53-35-31-33-47-55(53)58(62)56-48(57(47)61)34-32-36-54(56)66-52-40-38-46(44-50(52)60)64-42-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-40,43-44H,3-30,41-42,59-60H2,1-2H3