2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-methyl-benzenesulfonic acid

Systemtic Name: 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-methyl-benzenesulfonic acid Openeye Name: 2-[(9,10-dioxo-1-anthryl)amino]-5-methyl-benzenesulfonic acid CAS Name: 2-[(9,10-dioxo-1-anthracenyl)amino]-5-methylbenzenesulfonic acid IUPAC Name: 2-[(9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid Traditional Name: 2-[(9,10-diketo-1-anthryl)amino]-5-methyl-besylic acid Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

InChI

InChI=1S/C21H15NO5S/c1-12-9-10-16(18(11-12)28(25,26)27)22-17-8-4-7-15-19(17)21(24)14-6-3-2-5-13(14)20(15)23/h2-11,22H,1H3,(H,25,26,27)