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

Systemtic Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid Openeye Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid CAS Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid IUPAC Name: [1,2-bis(sulfomethyl)-3H-benzo[e]indol-4-yl]methanesulfonic acid Traditional Name: [1,2-bis(sulfomethyl)-3H-benz[e]indol-4-yl]methanesulfonic acid Formula: C15H15NO9S3 MolecularWeight: 449.4759

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO9S3/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)