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

Systemtic Name: 1,8-bis[(2-azanyl-4-butoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-butoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-butoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-butoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-butoxy-phenyl)thio]-9,10-anthraquinone Formula: C34H34N2O4S2 MolecularWeight: 598.77476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCC)N)N

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCC)N)N

InChI

InChI=1S/C34H34N2O4S2/c1-3-5-17-39-21-13-15-27(25(35)19-21)41-29-11-7-9-23-31(29)34(38)32-24(33(23)37)10-8-12-30(32)42-28-16-14-22(20-26(28)36)40-18-6-4-2/h7-16,19-20H,3-6,17-18,35-36H2,1-2H3