3-[[4-azanyl-9,10-bis(oxidanylidene)-3-phenoxy-anthracen-1-yl]amino]-2,4-diethyl-6-methyl-benzenesulfonic acid

Systemtic Name: 3-[[4-azanyl-9,10-bis(oxidanylidene)-3-phenoxy-anthracen-1-yl]amino]-2,4-diethyl-6-methyl-benzenesulfonic acid Openeye Name: 3-[(4-amino-9,10-dioxo-3-phenoxy-1-anthryl)amino]-2,4-diethyl-6-methyl-benzenesulfonic acid CAS Name: 3-[(4-amino-9,10-dioxo-3-phenoxy-1-anthracenyl)amino]-2,4-diethyl-6-methylbenzenesulfonic acid IUPAC Name: 3-[(4-amino-9,10-dioxo-3-phenoxyanthracen-1-yl)amino]-2,4-diethyl-6-methylbenzenesulfonic acid Traditional Name: 3-[(4-amino-9,10-diketo-3-phenoxy-1-anthryl)amino]-2,4-diethyl-6-methyl-besylic acid Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC5=CC=CC=C5)CC)S(=O)(=O)O)C

Isomeric SMILES

CCC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC5=CC=CC=C5)CC)S(=O)(=O)O)C

InChI

InChI=1S/C31H28N2O6S/c1-4-18-15-17(3)31(40(36,37)38)20(5-2)28(18)33-23-16-24(39-19-11-7-6-8-12-19)27(32)26-25(23)29(34)21-13-9-10-14-22(21)30(26)35/h6-16,33H,4-5,32H2,1-3H3,(H,36,37,38)