1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-3-ium-6,8-disulfonic acid

Systemtic Name: 1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-3-ium-6,8-disulfonic acid Openeye Name: 1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-3-ium-6,8-disulfonic acid CAS Name: 1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-3-ium-6,8-disulfonic acid IUPAC Name: 1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-3-ium-6,8-disulfonic acid Traditional Name: 1,1-dimethyl-3-(3-sulfopropyl)benz[e]indol-3-ium-6,8-disulfonic acid Formula: C17H20NO9S3+ MolecularWeight: 478.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=[N+](C2=C1C3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)CCCS(=O)(=O)O)C

Isomeric SMILES

CC1(C=[N+](C2=C1C3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)CCCS(=O)(=O)O)C

InChI

InChI=1S/C17H19NO9S3/c1-17(2)10-18(6-3-7-28(19,20)21)14-5-4-12-13(16(14)17)8-11(29(22,23)24)9-15(12)30(25,26)27/h4-5,8-10H,3,6-7H2,1-2H3,(H2-,19,20,21,22,23,24,25,26,27)/p+1