7-[[9,10-bis(oxidanylidene)-8a,10a-dihydroanthracen-1-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[9,10-bis(oxidanylidene)-8a,10a-dihydroanthracen-1-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[(9,10-dioxo-8a,10a-dihydroanthracen-1-yl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[(9,10-dioxo-8a,10a-dihydroanthracen-1-yl)amino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[(9,10-dioxo-8a,10a-dihydroanthracen-1-yl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[(9,10-diketo-8a,10a-dihydroanthracen-1-yl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C25H18N2O7S MolecularWeight: 490.48462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)C(=O)C3=C(C2=O)C=CC=C3NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2C(C=C1)C(=O)C3=C(C2=O)C=CC=C3NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O

InChI

InChI=1S/C25H18N2O7S/c28-21-12-15(35(32,33)34)11-13-10-14(8-9-16(13)21)26-25(31)27-20-7-3-6-19-22(20)24(30)18-5-2-1-4-17(18)23(19)29/h1-12,17-18,28H,(H2,26,27,31)(H,32,33,34)