3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[g][1,3]benzothiazol-3-ium-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[g][1,3]benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benzo[g][1,3]benzothiazol-3-ium-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-[3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-3-benzo[g][1,3]benzothiazol-3-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[g][1,3]benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benzo[g][1,3]benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Formula: C28H29N2O3S2+ MolecularWeight: 505.67146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(S3)C5=CC=CC=C5C=C4)CCCS(=O)(=O)O)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(S3)C5=CC=CC=C5C=C4)CCCS(=O)(=O)O)C)C

InChI

InChI=1S/C28H28N2O3S2/c1-28(2)22-12-6-7-13-23(22)29(3)25(28)14-8-15-26-30(18-9-19-35(31,32)33)24-17-16-20-10-4-5-11-21(20)27(24)34-26/h4-8,10-17H,9,18-19H2,1-3H3/p+1