3-[(2E)-2-(8-benzamido-3-methyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]-7-(methylamino)naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[(2E)-2-(8-benzamido-3-methyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]-7-(methylamino)naphthalene-1,5-disulfonic acid Openeye Name: 3-[(2E)-2-(8-benzamido-3-methyl-1-oxo-2-naphthylidene)hydrazino]-7-(methylamino)naphthalene-1,5-disulfonic acid CAS Name: 3-[(2E)-2-(8-benzamido-3-methyl-1-oxo-2-naphthalenylidene)hydrazinyl]-7-(methylamino)naphthalene-1,5-disulfonic acid IUPAC Name: 3-[(2E)-2-(8-benzamido-3-methyl-1-oxonaphthalen-2-ylidene)hydrazinyl]-7-(methylamino)naphthalene-1,5-disulfonic acid Traditional Name: 3-[(N'E)-N'-(8-benzamido-1-keto-3-methyl-2-naphthylidene)hydrazino]-7-(methylamino)naphthalene-1,5-disulfonic acid Formula: C29H24N4O8S2 MolecularWeight: 620.65286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)C1=NNC4=CC5=C(C=C(C=C5C(=C4)S(=O)(=O)O)NC)S(=O)(=O)O

Isomeric SMILES

CC\1=CC2=C(C(=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)/C1=N/NC4=CC5=C(C=C(C=C5C(=C4)S(=O)(=O)O)NC)S(=O)(=O)O

InChI

InChI=1S/C29H24N4O8S2/c1-16-11-18-9-6-10-23(31-29(35)17-7-4-3-5-8-17)26(18)28(34)27(16)33-32-20-13-22-21(25(15-20)43(39,40)41)12-19(30-2)14-24(22)42(36,37)38/h3-15,30,32H,1-2H3,(H,31,35)(H,36,37,38)(H,39,40,41)/b33-27+