4-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]benzene-1,3-disulfonic acid

Systemtic Name: 4-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]benzene-1,3-disulfonic acid Openeye Name: 4-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]benzene-1,3-disulfonic acid CAS Name: 4-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]benzene-1,3-disulfonic acid IUPAC Name: 4-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]benzene-1,3-disulfonic acid Traditional Name: 4-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]benzene-1,3-disulfonic acid Formula: C15H10O7S3 MolecularWeight: 398.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CC3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)/C(=C\C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)/S2

InChI

InChI=1S/C15H10O7S3/c16-15-11-3-1-2-4-12(11)23-13(15)7-9-5-6-10(24(17,18)19)8-14(9)25(20,21)22/h1-8H,(H,17,18,19)(H,20,21,22)/b13-7+