1,4-dibutyl-2,3-bis[[4-ethoxy-2,6-di(propan-2-yl)phenyl]amino]-5-oxidanyl-8-sulfanyl-anthracene-9,10-dione

Systemtic Name: 1,4-dibutyl-2,3-bis[[4-ethoxy-2,6-di(propan-2-yl)phenyl]amino]-5-oxidanyl-8-sulfanyl-anthracene-9,10-dione Openeye Name: 1,4-dibutyl-2,3-bis(4-ethoxy-2,6-diisopropyl-anilino)-5-hydroxy-8-sulfanyl-anthracene-9,10-dione CAS Name: 1,4-dibutyl-2,3-bis[4-ethoxy-2,6-di(propan-2-yl)anilino]-5-hydroxy-8-mercaptoanthracene-9,10-dione IUPAC Name: 1,4-dibutyl-2,3-bis[4-ethoxy-2,6-di(propan-2-yl)anilino]-5-hydroxy-8-sulfanylanthracene-9,10-dione Traditional Name: 1,4-dibutyl-2,3-bis(4-ethoxy-2,6-diisopropyl-anilino)-5-hydroxy-8-mercapto-9,10-anthraquinone Formula: C50H66N2O5S MolecularWeight: 807.13444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)S)O)CCCC)NC4=C(C=C(C=C4C(C)C)OCC)C(C)C)NC5=C(C=C(C=C5C(C)C)OCC)C(C)C

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)S)O)CCCC)NC4=C(C=C(C=C4C(C)C)OCC)C(C)C)NC5=C(C=C(C=C5C(C)C)OCC)C(C)C

InChI

InChI=1S/C50H66N2O5S/c1-13-17-19-33-41-42(50(55)44-40(58)22-21-39(53)43(44)49(41)54)34(20-18-14-2)48(52-46-37(29(9)10)25-32(57-16-4)26-38(46)30(11)12)47(33)51-45-35(27(5)6)23-31(56-15-3)24-36(45)28(7)8/h21-30,51-53,58H,13-20H2,1-12H3