[1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate

Systemtic Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate Openeye Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate CAS Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate IUPAC Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid hydrate Traditional Name: [1,2-bis(sulfomethyl)-3H-benz[e]indol-4-yl]methanesulfonic acid hydrate Formula: C15H17NO10S3 MolecularWeight: 467.49118

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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)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)CS(=O)(=O)O.O

InChI

InChI=1S/C15H15NO9S3.H2O/c17-26(18,19)6-10-5-9-3-1-2-4-11(9)14-12(7-27(20,21)22)13(16-15(10)14)8-28(23,24)25;/h1-5,16H,6-8H2,(H,17,18,19)(H,20,21,22)(H,23,24,25);1H2