3-oxidanylidene-3-[(2E)-2-(8,9,10,12-tetrahydro-7H-tetracen-5-ylidene)hydrazinyl]propane-1-sulfonic acid

Systemtic Name: 3-oxidanylidene-3-[(2E)-2-(8,9,10,12-tetrahydro-7H-tetracen-5-ylidene)hydrazinyl]propane-1-sulfonic acid Openeye Name: 3-oxo-3-[(2E)-2-(8,9,10,12-tetrahydro-7H-tetracen-5-ylidene)hydrazino]propane-1-sulfonic acid CAS Name: 3-oxo-3-[(2E)-2-(8,9,10,12-tetrahydro-7H-tetracen-5-ylidene)hydrazinyl]-1-propanesulfonic acid IUPAC Name: 3-oxo-3-[(2E)-2-(8,9,10,12-tetrahydro-7H-tetracen-5-ylidene)hydrazinyl]propane-1-sulfonic acid Traditional Name: 3-keto-3-[(N'E)-N'-(8,9,10,12-tetrahydro-7H-tetracen-5-ylidene)hydrazino]propane-1-sulfonic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3CC4=CC=CC=C4C(=NNC(=O)CCS(=O)(=O)O)C3=C2

Isomeric SMILES

C1CCC2=C(C1)C=C3CC4=CC=CC=C4/C(=N\NC(=O)CCS(=O)(=O)O)/C3=C2

InChI

InChI=1S/C21H22N2O4S/c24-20(9-10-28(25,26)27)22-23-21-18-8-4-3-7-16(18)12-17-11-14-5-1-2-6-15(14)13-19(17)21/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2,(H,22,24)(H,25,26,27)/b23-21+