2-[(1Z,3E)-1-azanyl-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-oxidanylidene-butyl)-3-methyl-2H-indole-1,5-disulfonic acid

Systemtic Name: 2-[(1Z,3E)-1-azanyl-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-oxidanylidene-butyl)-3-methyl-2H-indole-1,5-disulfonic acid Openeye Name: 2-[(1Z,3E)-1-amino-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-oxo-butyl)-3-methyl-indoline-1,5-disulfonic acid CAS Name: 2-[(1Z,3E)-1-amino-4-phenylbuta-1,3-dienyl]-3-(4-ethoxy-4-oxobutyl)-3-methyl-2H-indole-1,5-disulfonic acid IUPAC Name: 2-[(1Z,3E)-1-amino-4-phenylbuta-1,3-dienyl]-3-(4-ethoxy-4-oxobutyl)-3-methyl-2H-indole-1,5-disulfonic acid Traditional Name: 2-[(1Z,3E)-1-amino-4-phenyl-buta-1,3-dienyl]-3-(4-ethoxy-4-keto-butyl)-3-methyl-indoline-1,5-disulfonic acid Formula: C25H30N2O8S2 MolecularWeight: 550.6443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=CC=CC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)CCCC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)/C(=C/C=C/C3=CC=CC=C3)/N)C

InChI

InChI=1S/C25H30N2O8S2/c1-3-35-23(28)13-8-16-25(2)20-17-19(36(29,30)31)14-15-22(20)27(37(32,33)34)24(25)21(26)12-7-11-18-9-5-4-6-10-18/h4-7,9-12,14-15,17,24H,3,8,13,16,26H2,1-2H3,(H,29,30,31)(H,32,33,34)/b11-7+,21-12-