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

Systemtic Name: 1,8-bis[(2-azanyl-4-heptoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-heptoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-heptoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-heptoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-heptoxy-phenyl)thio]-9,10-anthraquinone Formula: C40H46N2O4S2 MolecularWeight: 682.93424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCC)N)N

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCC)N)N

InChI

InChI=1S/C40H46N2O4S2/c1-3-5-7-9-11-23-45-27-19-21-33(31(41)25-27)47-35-17-13-15-29-37(35)40(44)38-30(39(29)43)16-14-18-36(38)48-34-22-20-28(26-32(34)42)46-24-12-10-8-6-4-2/h13-22,25-26H,3-12,23-24,41-42H2,1-2H3