[2-(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate

Systemtic Name: [2-(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate Openeye Name: [2-(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate CAS Name: [2-(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate IUPAC Name: [2-(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate Traditional Name: [2-(sulfomethyl)-3H-benz[e]indol-4-yl]methanesulfonic acid hydrate Formula: C14H15NO7S2 MolecularWeight: 373.4014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=C2C=C(N3)CS(=O)(=O)O)CS(=O)(=O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=C2C=C(N3)CS(=O)(=O)O)CS(=O)(=O)O.O

InChI

InChI=1S/C14H13NO6S2.H2O/c16-22(17,18)7-10-5-9-3-1-2-4-12(9)13-6-11(15-14(10)13)8-23(19,20)21;/h1-6,15H,7-8H2,(H,16,17,18)(H,19,20,21);1H2