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

Systemtic Name: 1,8-bis[(2-azanyl-4-ethyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-ethyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-ethylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-ethylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-ethyl-phenyl)thio]-9,10-anthraquinone Formula: C30H26N2O2S2 MolecularWeight: 510.66964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CC)N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CC)N)N

InChI

InChI=1S/C30H26N2O2S2/c1-3-17-11-13-23(21(31)15-17)35-25-9-5-7-19-27(25)30(34)28-20(29(19)33)8-6-10-26(28)36-24-14-12-18(4-2)16-22(24)32/h5-16H,3-4,31-32H2,1-2H3