1,4-bis(phenylsulfanyl)-5,8-bis(propylamino)anthracene-9,10-dione

Systemtic Name: 1,4-bis(phenylsulfanyl)-5,8-bis(propylamino)anthracene-9,10-dione Openeye Name: 1,4-bis(phenylsulfanyl)-5,8-bis(propylamino)anthracene-9,10-dione CAS Name: 1,4-bis(phenylthio)-5,8-bis(propylamino)anthracene-9,10-dione IUPAC Name: 1,4-bis(phenylsulfanyl)-5,8-bis(propylamino)anthracene-9,10-dione Traditional Name: 1,4-bis(phenylthio)-5,8-bis(propylamino)-9,10-anthraquinone Formula: C32H30N2O2S2 MolecularWeight: 538.7228

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C(=C(C=C1)NCCC)C(=O)C3=C(C=CC(=C3C2=O)SC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CCCNC1=C2C(=C(C=C1)NCCC)C(=O)C3=C(C=CC(=C3C2=O)SC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C32H30N2O2S2/c1-3-19-33-23-15-16-24(34-20-4-2)28-27(23)31(35)29-25(37-21-11-7-5-8-12-21)17-18-26(30(29)32(28)36)38-22-13-9-6-10-14-22/h5-18,33-34H,3-4,19-20H2,1-2H3