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

Systemtic Name: 1,8-bis[[2-(2-azanylheptan-4-yl)phenyl]sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[[2-(3-amino-1-propyl-butyl)phenyl]sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[[2-(2-aminoheptan-4-yl)phenyl]thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[[2-(2-aminoheptan-4-yl)phenyl]sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[[2-(3-amino-1-propyl-butyl)phenyl]thio]-9,10-anthraquinone Formula: C40H46N2O2S2 MolecularWeight: 650.93544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C)N)C1=CC=CC=C1SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5C(CCC)CC(C)N

Isomeric SMILES

CCCC(CC(C)N)C1=CC=CC=C1SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5C(CCC)CC(C)N

InChI

InChI=1S/C40H46N2O2S2/c1-5-13-27(23-25(3)41)29-15-7-9-19-33(29)45-35-21-11-17-31-37(35)40(44)38-32(39(31)43)18-12-22-36(38)46-34-20-10-8-16-30(34)28(14-6-2)24-26(4)42/h7-12,15-22,25-28H,5-6,13-14,23-24,41-42H2,1-4H3