2-azanyl-1-(4-hexylphenyl)sulfanyl-anthracene-9,10-dione

Systemtic Name: 2-azanyl-1-(4-hexylphenyl)sulfanyl-anthracene-9,10-dione Openeye Name: 2-amino-1-(4-hexylphenyl)sulfanyl-anthracene-9,10-dione CAS Name: 2-amino-1-[(4-hexylphenyl)thio]anthracene-9,10-dione IUPAC Name: 2-amino-1-(4-hexylphenyl)sulfanylanthracene-9,10-dione Traditional Name: 2-amino-1-[(4-hexylphenyl)thio]-9,10-anthraquinone Formula: C26H25NO2S MolecularWeight: 415.5472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C26H25NO2S/c1-2-3-4-5-8-17-11-13-18(14-12-17)30-26-22(27)16-15-21-23(26)25(29)20-10-7-6-9-19(20)24(21)28/h6-7,9-16H,2-5,8,27H2,1H3