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

Systemtic Name: 1,8-bis[(2-azanyl-4-hexoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-hexoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-hexoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-hexoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-hexoxy-phenyl)thio]-9,10-anthraquinone Formula: C38H42N2O4S2 MolecularWeight: 654.88108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCC)N)N

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCC)N)N

InChI

InChI=1S/C38H42N2O4S2/c1-3-5-7-9-21-43-25-17-19-31(29(39)23-25)45-33-15-11-13-27-35(33)38(42)36-28(37(27)41)14-12-16-34(36)46-32-20-18-26(24-30(32)40)44-22-10-8-6-4-2/h11-20,23-24H,3-10,21-22,39-40H2,1-2H3