1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-7,9-disulfonic acid

Systemtic Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-7,9-disulfonic acid Openeye Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-7,9-disulfonic acid CAS Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-7,9-disulfonic acid IUPAC Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-7,9-disulfonic acid Traditional Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benz[e]indol-3-ium-7,9-disulfonic acid Formula: C19H24NO9S3+ MolecularWeight: 506.59016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)CCCCS(=O)(=O)O

InChI

InChI=1S/C19H23NO9S3/c1-12-19(2,3)18-15(20(12)8-4-5-9-30(21,22)23)7-6-13-10-14(31(24,25)26)11-16(17(13)18)32(27,28)29/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2-,21,22,23,24,25,26,27,28,29)/p+1